N,N-dicyclohexyl-4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-propan-2-ylphenyl)but-1-enyl]aniline

C41H56N2O — CID 54275142

IUPACN,N-dicyclohexyl-4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-propan-2-ylphenyl)but-1-enyl]aniline
SMILESCCC(=C(c1ccc(OCCN(C)C)cc1)c1ccc(N(C2CCCCC2)C2CCCCC2)cc1)c1ccc(C(C)C)cc1
InChIInChI=1S/C41H56N2O/c1-6-40(33-19-17-32(18-20-33)31(2)3)41(35-23-27-39(28-24-35)44-30-29-42(4)5)34-21-25-38(26-22-34)43(36-13-9-7-10-14-36)37-15-11-8-12-16-37/h17-28,31,36-37H,6-16,29-30H2,1-5H3
InChIKeyRMWWBLPFXYUMDV-UHFFFAOYSA-N
MW592.91 g/mol
LogP10.59
Rot. Bonds12

About N,N-dicyclohexyl-4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-propan-2-ylphenyl)but-1-enyl]aniline

N,N-dicyclohexyl-4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-propan-2-ylphenyl)but-1-enyl]aniline (PubChem CID 54275142) has the molecular formula C41H56N2O and a molecular weight of 592.91 g/mol. Its IUPAC name is N,N-dicyclohexyl-4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-propan-2-ylphenyl)but-1-enyl]aniline.

Molecular Properties

Compound NameN,N-dicyclohexyl-4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-propan-2-ylphenyl)but-1-enyl]aniline
PubChem CID54275142
Molecular FormulaC41H56N2O
Molecular Weight592.91 g/mol
Exact Mass592.44
IUPAC NameN,N-dicyclohexyl-4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-propan-2-ylphenyl)but-1-enyl]aniline
SMILESCCC(=C(c1ccc(OCCN(C)C)cc1)c1ccc(N(C2CCCCC2)C2CCCCC2)cc1)c1ccc(C(C)C)cc1
InChIInChI=1S/C41H56N2O/c1-6-40(33-19-17-32(18-20-33)31(2)3)41(35-23-27-39(28-24-35)44-30-29-42(4)5)34-21-25-38(26-22-34)43(36-13-9-7-10-14-36)37-15-11-8-12-16-37/h17-28,31,36-37H,6-16,29-30H2,1-5H3
InChIKeyRMWWBLPFXYUMDV-UHFFFAOYSA-N
XLogP10.59
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.91
LogP ≤ 510.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze N,N-dicyclohexyl-4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-propan-2-ylphenyl)but-1-enyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4'-[(4-Methoxyphenyl)methylene]bis(N,N-dimethylaniline)
CID 348623
1-Methyl-4-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenyl]piperazine
CID 57672016
((4-((2-(4-Cyclohexylphenoxy)ethyl)ethylamino)-2-methylphenyl)methylene)malononitrile
CID 104687
1-(cis-1-(3-Ethoxyphenyl)-4-methylcyclohexyl)-4-phenylpiperazine
CID 9894291
2,8-Dimethoxy-5-[4-[2-(1-piperidinyl)ethoxy]phenyl]-11,12-dihydro-6H-benzo[c]phenanthridine
CID 11071086
Propanedinitrile, ((4-((2-(2-cyclohexylphenoxy)ethyl)ethylamino)-2-methylphenyl)methylene)-
CID 104688
1-[2-(2-Benzyl-phenoxy)-ethyl]-4-phenyl-piperazine
CID 11406143
1-(3-Methylphenyl)-4-[2-[4-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)phenyl]ethyl]piperazine;dihydrochloride
CID 145968736
4-[(E)-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]but-1-enyl]-N-(2-pyrrolidin-1-ylethyl)aniline
CID 162646855
4-[(E)-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]but-1-enyl]aniline
CID 162648190
4-[(E)-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylbut-1-enyl]-N-(2-morpholin-4-ylethyl)aniline
CID 162673587
N-[2-[4-[[(3S)-3-[(4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 166625234

Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-propan-2-ylphenyl)but-1-enyl]aniline?
The IUPAC name of N,N-dicyclohexyl-4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-propan-2-ylphenyl)but-1-enyl]aniline (CID 54275142) is N,N-dicyclohexyl-4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-propan-2-ylphenyl)but-1-enyl]aniline.
What is the SMILES notation for N,N-dicyclohexyl-4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-propan-2-ylphenyl)but-1-enyl]aniline?
The canonical SMILES for N,N-dicyclohexyl-4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-propan-2-ylphenyl)but-1-enyl]aniline is CCC(=C(c1ccc(OCCN(C)C)cc1)c1ccc(N(C2CCCCC2)C2CCCCC2)cc1)c1ccc(C(C)C)cc1.
What is the InChIKey of N,N-dicyclohexyl-4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-propan-2-ylphenyl)but-1-enyl]aniline?
The InChIKey is RMWWBLPFXYUMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H56N2O/c1-6-40(33-19-17-32(18-20-33)31(2)3)41(35-23-27-39(28-24-35)44-30-29-42(4)5)34-21-25-38(26-22-34)43(36-13-9-7-10-14-36)37-15-11-8-12-16-37/h17-28,31,36-37H,6-16,29-30H2,1-5H3.
What are the key properties of N,N-dicyclohexyl-4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-propan-2-ylphenyl)but-1-enyl]aniline?
N,N-dicyclohexyl-4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-propan-2-ylphenyl)but-1-enyl]aniline has a molecular weight of 592.91 g/mol, XLogP of 10.59, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-propan-2-ylphenyl)but-1-enyl]aniline is sourced from PubChem (CID 54275142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).