6-[1-(4-amino-3-phenylphenyl)ethyl]-4-(2-morpholin-4-ylethoxy)-N,N-dipropylpyridin-2-amine

C31H42N4O2 — CID 143450181

IUPAC6-[1-(4-amino-3-phenylphenyl)ethyl]-4-(2-morpholin-4-ylethoxy)-N,N-dipropylpyridin-2-amine
SMILESCCCN(CCC)c1cc(OCCN2CCOCC2)cc(C(C)c2ccc(N)c(-c3ccccc3)c2)n1
InChIInChI=1S/C31H42N4O2/c1-4-13-35(14-5-2)31-23-27(37-20-17-34-15-18-36-19-16-34)22-30(33-31)24(3)26-11-12-29(32)28(21-26)25-9-7-6-8-10-25/h6-12,21-24H,4-5,13-20,32H2,1-3H3
InChIKeyARFOKOSPYSFEOU-UHFFFAOYSA-N
MW502.70 g/mol
LogP5.82
Rot. Bonds12

About 6-[1-(4-amino-3-phenylphenyl)ethyl]-4-(2-morpholin-4-ylethoxy)-N,N-dipropylpyridin-2-amine

6-[1-(4-amino-3-phenylphenyl)ethyl]-4-(2-morpholin-4-ylethoxy)-N,N-dipropylpyridin-2-amine (PubChem CID 143450181) has the molecular formula C31H42N4O2 and a molecular weight of 502.70 g/mol. Its IUPAC name is 6-[1-(4-amino-3-phenylphenyl)ethyl]-4-(2-morpholin-4-ylethoxy)-N,N-dipropylpyridin-2-amine.

Molecular Properties

Compound Name6-[1-(4-amino-3-phenylphenyl)ethyl]-4-(2-morpholin-4-ylethoxy)-N,N-dipropylpyridin-2-amine
PubChem CID143450181
Molecular FormulaC31H42N4O2
Molecular Weight502.70 g/mol
Exact Mass502.33
IUPAC Name6-[1-(4-amino-3-phenylphenyl)ethyl]-4-(2-morpholin-4-ylethoxy)-N,N-dipropylpyridin-2-amine
SMILESCCCN(CCC)c1cc(OCCN2CCOCC2)cc(C(C)c2ccc(N)c(-c3ccccc3)c2)n1
InChIInChI=1S/C31H42N4O2/c1-4-13-35(14-5-2)31-23-27(37-20-17-34-15-18-36-19-16-34)22-30(33-31)24(3)26-11-12-29(32)28(21-26)25-9-7-6-8-10-25/h6-12,21-24H,4-5,13-20,32H2,1-3H3
InChIKeyARFOKOSPYSFEOU-UHFFFAOYSA-N
XLogP5.82
TPSA63.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.70
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-[1-(4-amino-3-phenylphenyl)ethyl]-4-(2-morpholin-4-ylethoxy)-N,N-dipropylpyridin-2-amine with MolForge

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Related Compounds

2-N-[4-amino-3-[(E)-but-2-en-2-yl]phenyl]-4-(2-morpholin-4-ylethoxy)-6-N,6-N-dipropylpyridine-2,6-diamine;ethane
CID 143450441
6-N,6-N-diethyl-4-(2-morpholin-4-ylethoxy)pyridine-2,6-diamine
CID 143229880
4-[2-(3-butoxyphenoxy)ethyl]morpholine
CID 2993436
ethane;6-N-[(E)-(7-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 143333391
1-carbamimidoyl-3-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-1,2-bis(2-morpholin-4-ylethyl)guanidine
CID 70081885
4-[2-[4-(4-phenylbut-3-yn-2-yl)phenoxy]ethyl]morpholine
CID 118384322
ethane;2-methanimidoyl-4-methylaniline;6-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143341673
(5E)-5-[[6-(dipropylamino)-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazinylidene]-7,8-dihydro-6H-naphthalen-2-ol
CID 136638391
ethane;6-N-[(E)-(5-fluoro-2,3-dihydroinden-1-ylidene)amino]-2-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 143333478
ethane;6-N-[(Z)-(3-methyl-2,3-dihydroinden-1-ylidene)amino]-2-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 143333390
(1E)-1-[[6-(dipropylamino)-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazinylidene]-2,3-dihydroinden-4-ol;ethane
CID 143341593
1-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-2-(2-morpholin-4-ylethyl)guanidine
CID 18693469

Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-amino-3-phenylphenyl)ethyl]-4-(2-morpholin-4-ylethoxy)-N,N-dipropylpyridin-2-amine?
The IUPAC name of 6-[1-(4-amino-3-phenylphenyl)ethyl]-4-(2-morpholin-4-ylethoxy)-N,N-dipropylpyridin-2-amine (CID 143450181) is 6-[1-(4-amino-3-phenylphenyl)ethyl]-4-(2-morpholin-4-ylethoxy)-N,N-dipropylpyridin-2-amine.
What is the SMILES notation for 6-[1-(4-amino-3-phenylphenyl)ethyl]-4-(2-morpholin-4-ylethoxy)-N,N-dipropylpyridin-2-amine?
The canonical SMILES for 6-[1-(4-amino-3-phenylphenyl)ethyl]-4-(2-morpholin-4-ylethoxy)-N,N-dipropylpyridin-2-amine is CCCN(CCC)c1cc(OCCN2CCOCC2)cc(C(C)c2ccc(N)c(-c3ccccc3)c2)n1.
What is the InChIKey of 6-[1-(4-amino-3-phenylphenyl)ethyl]-4-(2-morpholin-4-ylethoxy)-N,N-dipropylpyridin-2-amine?
The InChIKey is ARFOKOSPYSFEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H42N4O2/c1-4-13-35(14-5-2)31-23-27(37-20-17-34-15-18-36-19-16-34)22-30(33-31)24(3)26-11-12-29(32)28(21-26)25-9-7-6-8-10-25/h6-12,21-24H,4-5,13-20,32H2,1-3H3.
What are the key properties of 6-[1-(4-amino-3-phenylphenyl)ethyl]-4-(2-morpholin-4-ylethoxy)-N,N-dipropylpyridin-2-amine?
6-[1-(4-amino-3-phenylphenyl)ethyl]-4-(2-morpholin-4-ylethoxy)-N,N-dipropylpyridin-2-amine has a molecular weight of 502.70 g/mol, XLogP of 5.82, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-amino-3-phenylphenyl)ethyl]-4-(2-morpholin-4-ylethoxy)-N,N-dipropylpyridin-2-amine is sourced from PubChem (CID 143450181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).