cis-(1S,2R)-N-[(3,5-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine

C16H25NO2 — CID 6962836

IUPACcis-(1S,2R)-N-[(3,5-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine
SMILESCOc1cc(CN[C@H]2CCCC[C@H]2C)cc(OC)c1
InChIInChI=1S/C16H25NO2/c1-12-6-4-5-7-16(12)17-11-13-8-14(18-2)10-15(9-13)19-3/h8-10,12,16-17H,4-7,11H2,1-3H3/t12-,16+/m1/s1
InChIKeyDRSYBUUGHBYGHZ-WBMJQRKESA-N
MW263.38 g/mol
LogP3.37
Rot. Bonds5

About cis-(1S,2R)-N-[(3,5-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine

cis-(1S,2R)-N-[(3,5-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine (PubChem CID 6962836) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is cis-(1S,2R)-N-[(3,5-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1S,2R)-N-[(3,5-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine
PubChem CID6962836
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Namecis-(1S,2R)-N-[(3,5-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine
SMILESCOc1cc(CN[C@H]2CCCC[C@H]2C)cc(OC)c1
InChIInChI=1S/C16H25NO2/c1-12-6-4-5-7-16(12)17-11-13-8-14(18-2)10-15(9-13)19-3/h8-10,12,16-17H,4-7,11H2,1-3H3/t12-,16+/m1/s1
InChIKeyDRSYBUUGHBYGHZ-WBMJQRKESA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dimethoxyphenyl)methyl]-2-methyloxolan-3-amine
CID 115335798
N-[(3,5-dimethoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 23736358
N-[(2,4-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine
CID 2852810
trans-(1S,2S)-1-N,2-N-bis[(3-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 132575811
N-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylcycloheptan-1-amine
CID 102876472
trans-(1R,2R)-1-N,2-N-bis[(4-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 11314223
2-methyl-N-[(3-propoxyphenyl)methyl]cyclohexan-1-amine
CID 55199783
2-methoxy-5-[[(2-methylcyclopentyl)amino]methyl]benzonitrile
CID 65340963
N-[(4-methoxy-3-methylphenyl)methyl]-2-methylcyclopentan-1-amine
CID 55171660
2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine
CID 43434809
cis-(1R,2S)-2-methyl-N-(pyrimidin-5-ylmethyl)cyclohexan-1-amine
CID 94577889
N-cyclopentyloxy-1-(3,5-dimethoxyphenyl)methanamine
CID 83229472

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[(3,5-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine?
The IUPAC name of cis-(1S,2R)-N-[(3,5-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine (CID 6962836) is cis-(1S,2R)-N-[(3,5-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine.
What is the SMILES notation for cis-(1S,2R)-N-[(3,5-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine?
The canonical SMILES for cis-(1S,2R)-N-[(3,5-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine is COc1cc(CN[C@H]2CCCC[C@H]2C)cc(OC)c1.
What is the InChIKey of cis-(1S,2R)-N-[(3,5-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine?
The InChIKey is DRSYBUUGHBYGHZ-WBMJQRKESA-N. The full InChI is InChI=1S/C16H25NO2/c1-12-6-4-5-7-16(12)17-11-13-8-14(18-2)10-15(9-13)19-3/h8-10,12,16-17H,4-7,11H2,1-3H3/t12-,16+/m1/s1.
What are the key properties of cis-(1S,2R)-N-[(3,5-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine?
cis-(1S,2R)-N-[(3,5-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[(3,5-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine is sourced from PubChem (CID 6962836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).