N-[3-(3-cyclohexylpropoxy)-5-methylphenyl]-2-cyclopropyl-4-phenylmethoxyaniline

C32H39NO2 — CID 146295836

IUPACN-[3-(3-cyclohexylpropoxy)-5-methylphenyl]-2-cyclopropyl-4-phenylmethoxyaniline
SMILESCc1cc(Nc2ccc(OCc3ccccc3)cc2C2CC2)cc(OCCCC2CCCCC2)c1
InChIInChI=1S/C32H39NO2/c1-24-19-28(21-30(20-24)34-18-8-13-25-9-4-2-5-10-25)33-32-17-16-29(22-31(32)27-14-15-27)35-23-26-11-6-3-7-12-26/h3,6-7,11-12,16-17,19-22,25,27,33H,2,4-5,8-10,13-15,18,23H2,1H3
InChIKeyRXWREQZZGSCHAP-UHFFFAOYSA-N
MW469.67 g/mol
LogP8.93
Rot. Bonds11

About N-[3-(3-cyclohexylpropoxy)-5-methylphenyl]-2-cyclopropyl-4-phenylmethoxyaniline

N-[3-(3-cyclohexylpropoxy)-5-methylphenyl]-2-cyclopropyl-4-phenylmethoxyaniline (PubChem CID 146295836) has the molecular formula C32H39NO2 and a molecular weight of 469.67 g/mol. Its IUPAC name is N-[3-(3-cyclohexylpropoxy)-5-methylphenyl]-2-cyclopropyl-4-phenylmethoxyaniline.

Molecular Properties

Compound NameN-[3-(3-cyclohexylpropoxy)-5-methylphenyl]-2-cyclopropyl-4-phenylmethoxyaniline
PubChem CID146295836
Molecular FormulaC32H39NO2
Molecular Weight469.67 g/mol
Exact Mass469.30
IUPAC NameN-[3-(3-cyclohexylpropoxy)-5-methylphenyl]-2-cyclopropyl-4-phenylmethoxyaniline
SMILESCc1cc(Nc2ccc(OCc3ccccc3)cc2C2CC2)cc(OCCCC2CCCCC2)c1
InChIInChI=1S/C32H39NO2/c1-24-19-28(21-30(20-24)34-18-8-13-25-9-4-2-5-10-25)33-32-17-16-29(22-31(32)27-14-15-27)35-23-26-11-6-3-7-12-26/h3,6-7,11-12,16-17,19-22,25,27,33H,2,4-5,8-10,13-15,18,23H2,1H3
InChIKeyRXWREQZZGSCHAP-UHFFFAOYSA-N
XLogP8.93
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.67
LogP ≤ 58.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-(3-cyclohexylpropoxy)-5-methylphenyl]-2-cyclopropyl-4-phenylmethoxyaniline 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

3-cyclohexyl-N-[2-(2-cyclopropyl-4-phenylmethoxyanilino)phenyl]propanamide;3-[3-(3-cyclohexylpropoxy)-N-(2-methyl-4-phenylmethoxyphenyl)anilino]propanoic acid;methyl 2-[3-(2-methyl-4-phenylmethoxyanilino)phenoxy]acetate;2-[3-(2-methyl-4-phenylmethoxyanilino)phenoxy]acetic acid;5-[3-(2-methyl-4-phenylmethoxyanilino)phenoxy]pentanoic acid;2-methyl-4-phenylmethoxy-N-[3-(trifluoromethoxy)phenyl]aniline
CID 160740201
N-(2-cyclopentylethyl)-3-[2-cyclopropyl-4-(pyridin-4-ylmethoxy)anilino]benzamide
CID 146295815
3-[3-(3-cyclohexylpropoxy)-N-(2-methyl-4-phenylmethoxyphenyl)anilino]propanoic acid
CID 146295940
1,3-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-5-methylbenzene
CID 102395902
3-cyclohexyl-N-[2-fluoro-5-(2-methyl-4-phenylmethoxyanilino)phenyl]propanamide
CID 146295880
N-[3-(3-cyclohexylpropylsulfonyl)phenyl]-4-phenylmethoxy-2-(trifluoromethyl)aniline
CID 157327969
N-[2-(3,5-dimethylphenoxy)ethyl]-3-phenylmethoxyaniline
CID 54801279
1-(3-methoxypropoxy)-3-methyl-5-phenylmethoxybenzene
CID 59224132
3-cyclohexyl-N-[3-(2-fluoro-4-phenylmethoxyanilino)phenyl]propanamide
CID 146295943
N-[3-(2-methoxyethoxy)phenyl]-2-methyl-4-phenylmethoxyaniline
CID 146295838
1-[2-[3-(4-phenylcyclohexyl)propyl]-4-phenylmethoxyphenyl]propan-1-ol
CID 70218876
N-[3-[5-(2-cyclohexylethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-cyclopropyl-4-(pyridin-2-ylmethoxy)aniline
CID 146295965

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-cyclohexylpropoxy)-5-methylphenyl]-2-cyclopropyl-4-phenylmethoxyaniline?
The IUPAC name of N-[3-(3-cyclohexylpropoxy)-5-methylphenyl]-2-cyclopropyl-4-phenylmethoxyaniline (CID 146295836) is N-[3-(3-cyclohexylpropoxy)-5-methylphenyl]-2-cyclopropyl-4-phenylmethoxyaniline.
What is the SMILES notation for N-[3-(3-cyclohexylpropoxy)-5-methylphenyl]-2-cyclopropyl-4-phenylmethoxyaniline?
The canonical SMILES for N-[3-(3-cyclohexylpropoxy)-5-methylphenyl]-2-cyclopropyl-4-phenylmethoxyaniline is Cc1cc(Nc2ccc(OCc3ccccc3)cc2C2CC2)cc(OCCCC2CCCCC2)c1.
What is the InChIKey of N-[3-(3-cyclohexylpropoxy)-5-methylphenyl]-2-cyclopropyl-4-phenylmethoxyaniline?
The InChIKey is RXWREQZZGSCHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39NO2/c1-24-19-28(21-30(20-24)34-18-8-13-25-9-4-2-5-10-25)33-32-17-16-29(22-31(32)27-14-15-27)35-23-26-11-6-3-7-12-26/h3,6-7,11-12,16-17,19-22,25,27,33H,2,4-5,8-10,13-15,18,23H2,1H3.
What are the key properties of N-[3-(3-cyclohexylpropoxy)-5-methylphenyl]-2-cyclopropyl-4-phenylmethoxyaniline?
N-[3-(3-cyclohexylpropoxy)-5-methylphenyl]-2-cyclopropyl-4-phenylmethoxyaniline has a molecular weight of 469.67 g/mol, XLogP of 8.93, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-cyclohexylpropoxy)-5-methylphenyl]-2-cyclopropyl-4-phenylmethoxyaniline is sourced from PubChem (CID 146295836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).