4-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine

C16H25NO — CID 113414416

IUPAC4-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine
SMILESCOC1CCC(N[C@H](C)c2ccccc2C)CC1
InChIInChI=1S/C16H25NO/c1-12-6-4-5-7-16(12)13(2)17-14-8-10-15(18-3)11-9-14/h4-7,13-15,17H,8-11H2,1-3H3/t13-,14?,15?/m1/s1
InChIKeyRHFYCLKDTTVYEW-WLYUNCDWSA-N
MW247.38 g/mol
LogP3.60
Rot. Bonds4

About 4-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine

4-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine (PubChem CID 113414416) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine
PubChem CID113414416
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine
SMILESCOC1CCC(N[C@H](C)c2ccccc2C)CC1
InChIInChI=1S/C16H25NO/c1-12-6-4-5-7-16(12)13(2)17-14-8-10-15(18-3)11-9-14/h4-7,13-15,17H,8-11H2,1-3H3/t13-,14?,15?/m1/s1
InChIKeyRHFYCLKDTTVYEW-WLYUNCDWSA-N
XLogP3.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 43081539
N-[(1S)-1-(2-methylphenyl)ethyl]oxan-4-amine
CID 81374300
4,4-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 81373520
N-[(1R)-1-(2-methylphenyl)ethyl]oxan-4-amine
CID 81373739
3-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]cyclopentan-1-amine
CID 81374284
3-ethoxy-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine
CID 113365044
N-[(1R)-1-(2-methylphenyl)ethyl]-1-propan-2-ylpiperidin-4-amine
CID 28652659
N-[(1R)-1-(2-methylphenyl)ethyl]oxetan-3-amine
CID 81373882
2-[1-[(3-methoxycyclobutyl)amino]ethyl]phenol
CID 104584456
3-methyl-N-[1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 43081561
4-[[(1R)-1-(2-methylphenyl)ethyl]amino]piperidine-1-carboxamide
CID 81374272
N-[(1S)-1-(2-methylphenyl)ethyl]-3-phenylcyclobutan-1-amine
CID 81375684

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine?
The IUPAC name of 4-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine (CID 113414416) is 4-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 4-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine is COC1CCC(N[C@H](C)c2ccccc2C)CC1.
What is the InChIKey of 4-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine?
The InChIKey is RHFYCLKDTTVYEW-WLYUNCDWSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-6-4-5-7-16(12)13(2)17-14-8-10-15(18-3)11-9-14/h4-7,13-15,17H,8-11H2,1-3H3/t13-,14?,15?/m1/s1.
What are the key properties of 4-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine?
4-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 113414416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).