2-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]cyclohexan-1-amine

C16H25NO2 — CID 81396821

IUPAC2-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]cyclohexan-1-amine
SMILESCOc1ccccc1[C@H](C)NC1CCCCC1OC
InChIInChI=1S/C16H25NO2/c1-12(13-8-4-6-10-15(13)18-2)17-14-9-5-7-11-16(14)19-3/h4,6,8,10,12,14,16-17H,5,7,9,11H2,1-3H3/t12-,14?,16?/m0/s1
InChIKeyWEMUVECITQQFNH-YGONEPDPSA-N
MW263.38 g/mol
LogP3.30
Rot. Bonds5

About 2-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]cyclohexan-1-amine

2-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]cyclohexan-1-amine (PubChem CID 81396821) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]cyclohexan-1-amine
PubChem CID81396821
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]cyclohexan-1-amine
SMILESCOc1ccccc1[C@H](C)NC1CCCCC1OC
InChIInChI=1S/C16H25NO2/c1-12(13-8-4-6-10-15(13)18-2)17-14-9-5-7-11-16(14)19-3/h4,6,8,10,12,14,16-17H,5,7,9,11H2,1-3H3/t12-,14?,16?/m0/s1
InChIKeyWEMUVECITQQFNH-YGONEPDPSA-N
XLogP3.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(2-bromophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 81378180
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methylcyclohexan-1-amine
CID 81397569
2-tert-butyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 81389693
2-tert-butyl-N-[1-(2-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 43079642
N-[1-(2-methoxyphenyl)ethyl]-2-methylcyclopentan-1-amine
CID 63278312
2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]cycloheptane-1-carbonitrile
CID 81386978
2-methoxy-N-[1-(2-methoxyphenyl)propyl]cyclopentan-1-amine
CID 62086587
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine
CID 81397921
N-[1-(4-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 43766679
N-[1-(2,4-dichlorophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 43761470
N-[(1S)-1-(4-bromophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 81359045
2-methoxy-N-[1-(4-methoxyphenyl)ethyl]cyclopentan-1-amine
CID 62086759

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]cyclohexan-1-amine?
The IUPAC name of 2-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]cyclohexan-1-amine (CID 81396821) is 2-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]cyclohexan-1-amine is COc1ccccc1[C@H](C)NC1CCCCC1OC.
What is the InChIKey of 2-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]cyclohexan-1-amine?
The InChIKey is WEMUVECITQQFNH-YGONEPDPSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(13-8-4-6-10-15(13)18-2)17-14-9-5-7-11-16(14)19-3/h4,6,8,10,12,14,16-17H,5,7,9,11H2,1-3H3/t12-,14?,16?/m0/s1.
What are the key properties of 2-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]cyclohexan-1-amine?
2-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]cyclohexan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 81396821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).