4-methoxy-N-[2-(3-methylphenyl)cyclohexyl]aniline

C20H25NO — CID 135074214

IUPAC4-methoxy-N-[2-(3-methylphenyl)cyclohexyl]aniline
SMILESCOc1ccc(NC2CCCCC2c2cccc(C)c2)cc1
InChIInChI=1S/C20H25NO/c1-15-6-5-7-16(14-15)19-8-3-4-9-20(19)21-17-10-12-18(22-2)13-11-17/h5-7,10-14,19-21H,3-4,8-9H2,1-2H3
InChIKeyKSPDPVDVDWXGIQ-UHFFFAOYSA-N
MW295.43 g/mol
LogP5.14
Rot. Bonds4

About 4-methoxy-N-[2-(3-methylphenyl)cyclohexyl]aniline

4-methoxy-N-[2-(3-methylphenyl)cyclohexyl]aniline (PubChem CID 135074214) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 4-methoxy-N-[2-(3-methylphenyl)cyclohexyl]aniline.

Molecular Properties

Compound Name4-methoxy-N-[2-(3-methylphenyl)cyclohexyl]aniline
PubChem CID135074214
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name4-methoxy-N-[2-(3-methylphenyl)cyclohexyl]aniline
SMILESCOc1ccc(NC2CCCCC2c2cccc(C)c2)cc1
InChIInChI=1S/C20H25NO/c1-15-6-5-7-16(14-15)19-8-3-4-9-20(19)21-17-10-12-18(22-2)13-11-17/h5-7,10-14,19-21H,3-4,8-9H2,1-2H3
InChIKeyKSPDPVDVDWXGIQ-UHFFFAOYSA-N
XLogP5.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.43
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-bromophenyl)cyclohexyl]-4-methoxyaniline
CID 135074114
N-[(1R,2S)-2-(furan-2-yl)cyclohexyl]-4-methoxyaniline
CID 46868717
2-(3-methoxyphenyl)-N-methylcyclohexan-1-amine
CID 62603851
N-ethyl-2-(3-methylphenyl)cycloheptan-1-amine
CID 62604421
[2-(3-methoxyphenyl)cyclohexyl]hydrazine
CID 53402469
N-[(1R,2R)-2-fluorocyclopentyl]-4-methoxyaniline
CID 126847817
trans-(1R,2R)-2-(4-methoxyanilino)cyclooctan-1-ol
CID 15891180
1-methoxy-4-[2-(4-methoxyphenyl)cyclohexyl]benzene
CID 101244821
trans-(1S,2R)-2-(3-methylphenyl)cyclohexan-1-ol
CID 36688903
N-ethyl-2-(3-methoxyphenyl)cyclopentan-1-amine
CID 62604232
methyl 2-[2-(3-methylphenyl)cycloheptyl]acetate
CID 82245972
N-[2-(4-methoxyanilino)cyclohexyl]-4-methylbenzenesulfonamide
CID 23604885

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(3-methylphenyl)cyclohexyl]aniline?
The IUPAC name of 4-methoxy-N-[2-(3-methylphenyl)cyclohexyl]aniline (CID 135074214) is 4-methoxy-N-[2-(3-methylphenyl)cyclohexyl]aniline.
What is the SMILES notation for 4-methoxy-N-[2-(3-methylphenyl)cyclohexyl]aniline?
The canonical SMILES for 4-methoxy-N-[2-(3-methylphenyl)cyclohexyl]aniline is COc1ccc(NC2CCCCC2c2cccc(C)c2)cc1.
What is the InChIKey of 4-methoxy-N-[2-(3-methylphenyl)cyclohexyl]aniline?
The InChIKey is KSPDPVDVDWXGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-15-6-5-7-16(14-15)19-8-3-4-9-20(19)21-17-10-12-18(22-2)13-11-17/h5-7,10-14,19-21H,3-4,8-9H2,1-2H3.
What are the key properties of 4-methoxy-N-[2-(3-methylphenyl)cyclohexyl]aniline?
4-methoxy-N-[2-(3-methylphenyl)cyclohexyl]aniline has a molecular weight of 295.43 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(3-methylphenyl)cyclohexyl]aniline is sourced from PubChem (CID 135074214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).