2-methoxy-5-[[methyl-(2-methylcyclohexyl)amino]methyl]aniline

C16H26N2O — CID 55000180

IUPAC2-methoxy-5-[[methyl-(2-methylcyclohexyl)amino]methyl]aniline
SMILESCOc1ccc(CN(C)C2CCCCC2C)cc1N
InChIInChI=1S/C16H26N2O/c1-12-6-4-5-7-15(12)18(2)11-13-8-9-16(19-3)14(17)10-13/h8-10,12,15H,4-7,11,17H2,1-3H3
InChIKeyVPNSPVUABZLNMZ-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.29
Rot. Bonds4

About 2-methoxy-5-[[methyl-(2-methylcyclohexyl)amino]methyl]aniline

2-methoxy-5-[[methyl-(2-methylcyclohexyl)amino]methyl]aniline (PubChem CID 55000180) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-methoxy-5-[[methyl-(2-methylcyclohexyl)amino]methyl]aniline.

Molecular Properties

Compound Name2-methoxy-5-[[methyl-(2-methylcyclohexyl)amino]methyl]aniline
PubChem CID55000180
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-methoxy-5-[[methyl-(2-methylcyclohexyl)amino]methyl]aniline
SMILESCOc1ccc(CN(C)C2CCCCC2C)cc1N
InChIInChI=1S/C16H26N2O/c1-12-6-4-5-7-15(12)18(2)11-13-8-9-16(19-3)14(17)10-13/h8-10,12,15H,4-7,11,17H2,1-3H3
InChIKeyVPNSPVUABZLNMZ-UHFFFAOYSA-N
XLogP3.29
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N,2-dimethylcyclohexan-1-amine
CID 106785394
2-methoxy-5-[[methyl-(3-methylcyclohexyl)amino]methyl]aniline
CID 61443699
N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N,2-dimethylcyclohexan-1-amine
CID 62018739
N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylcyclohexan-1-amine
CID 55192223
2-bromo-N-[(3,4-dimethoxyphenyl)methyl]-N-methylcyclohexan-1-amine
CID 102637367
2,6-dichloro-4-[[methyl-(2-methylcyclohexyl)amino]methyl]aniline
CID 82833472
5-(diethylaminomethyl)-2-methoxyaniline
CID 29272603
5-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-2-methoxyaniline
CID 61433786
2-cyano-N-[(3,4-dimethoxyphenyl)methyl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 99786474
3-[(3-amino-4-methoxyphenyl)methyl-cyclopropylamino]propanenitrile
CID 54996361
2,6-difluoro-4-[[methyl-(2-methylcyclohexyl)amino]methyl]phenol
CID 82986680
2-methoxy-5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]aniline
CID 63272706

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[methyl-(2-methylcyclohexyl)amino]methyl]aniline?
The IUPAC name of 2-methoxy-5-[[methyl-(2-methylcyclohexyl)amino]methyl]aniline (CID 55000180) is 2-methoxy-5-[[methyl-(2-methylcyclohexyl)amino]methyl]aniline.
What is the SMILES notation for 2-methoxy-5-[[methyl-(2-methylcyclohexyl)amino]methyl]aniline?
The canonical SMILES for 2-methoxy-5-[[methyl-(2-methylcyclohexyl)amino]methyl]aniline is COc1ccc(CN(C)C2CCCCC2C)cc1N.
What is the InChIKey of 2-methoxy-5-[[methyl-(2-methylcyclohexyl)amino]methyl]aniline?
The InChIKey is VPNSPVUABZLNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-6-4-5-7-15(12)18(2)11-13-8-9-16(19-3)14(17)10-13/h8-10,12,15H,4-7,11,17H2,1-3H3.
What are the key properties of 2-methoxy-5-[[methyl-(2-methylcyclohexyl)amino]methyl]aniline?
2-methoxy-5-[[methyl-(2-methylcyclohexyl)amino]methyl]aniline has a molecular weight of 262.40 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[methyl-(2-methylcyclohexyl)amino]methyl]aniline is sourced from PubChem (CID 55000180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).