trans-(1R,2R)-2-(3-methoxyphenyl)-2-methylcyclohexan-1-amine

C14H21NO — CID 121227280

IUPACtrans-(1R,2R)-2-(3-methoxyphenyl)-2-methylcyclohexan-1-amine
SMILESCOc1cccc([C@@]2(C)CCCC[C@H]2N)c1
InChIInChI=1S/C14H21NO/c1-14(9-4-3-8-13(14)15)11-6-5-7-12(10-11)16-2/h5-7,10,13H,3-4,8-9,15H2,1-2H3/t13-,14-/m1/s1
InChIKeyWYQUCYZVHQVUFN-ZIAGYGMSSA-N
MW219.33 g/mol
LogP2.85
Rot. Bonds2

About trans-(1R,2R)-2-(3-methoxyphenyl)-2-methylcyclohexan-1-amine

trans-(1R,2R)-2-(3-methoxyphenyl)-2-methylcyclohexan-1-amine (PubChem CID 121227280) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is trans-(1R,2R)-2-(3-methoxyphenyl)-2-methylcyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(3-methoxyphenyl)-2-methylcyclohexan-1-amine
PubChem CID121227280
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Nametrans-(1R,2R)-2-(3-methoxyphenyl)-2-methylcyclohexan-1-amine
SMILESCOc1cccc([C@@]2(C)CCCC[C@H]2N)c1
InChIInChI=1S/C14H21NO/c1-14(9-4-3-8-13(14)15)11-6-5-7-12(10-11)16-2/h5-7,10,13H,3-4,8-9,15H2,1-2H3/t13-,14-/m1/s1
InChIKeyWYQUCYZVHQVUFN-ZIAGYGMSSA-N
XLogP2.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methoxyphenyl)-2-methylcyclopropan-1-amine
CID 62389909
N-[2-(3-methoxyphenyl)-2-methylcyclohexyl]formamide
CID 154088219
trans-(1S,3R)-3-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-2,2-dimethylcycloheptan-1-ol
CID 163525508
cis-(1S,2S)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol;hydrochloride
CID 10017651
2-tert-butyl-1-(3-methoxyphenyl)cyclohexan-1-ol
CID 60794931
[(1S,2R)-2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]methyl-trimethylazanium
CID 7083191
2-(3-methoxyphenyl)-N,N,1,2-tetramethylcyclohexan-1-amine
CID 20571901
2-(3-methoxyphenyl)-2-methylpiperidine
CID 83532633
[2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]methyl-trimethylazanium iodide
CID 163331114
1-[2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]-N,N-dimethylmethanamine oxide
CID 22016064
bis(cis-(1S,2S)-2-[[bis(trideuteriomethyl)amino]methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol);hydrochloride
CID 160528339
(3-methoxyphenyl)methyl 2-amino-1-methylcyclohexane-1-carboxylate
CID 83216143

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(3-methoxyphenyl)-2-methylcyclohexan-1-amine?
The IUPAC name of trans-(1R,2R)-2-(3-methoxyphenyl)-2-methylcyclohexan-1-amine (CID 121227280) is trans-(1R,2R)-2-(3-methoxyphenyl)-2-methylcyclohexan-1-amine.
What is the SMILES notation for trans-(1R,2R)-2-(3-methoxyphenyl)-2-methylcyclohexan-1-amine?
The canonical SMILES for trans-(1R,2R)-2-(3-methoxyphenyl)-2-methylcyclohexan-1-amine is COc1cccc([C@@]2(C)CCCC[C@H]2N)c1.
What is the InChIKey of trans-(1R,2R)-2-(3-methoxyphenyl)-2-methylcyclohexan-1-amine?
The InChIKey is WYQUCYZVHQVUFN-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H21NO/c1-14(9-4-3-8-13(14)15)11-6-5-7-12(10-11)16-2/h5-7,10,13H,3-4,8-9,15H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(3-methoxyphenyl)-2-methylcyclohexan-1-amine?
trans-(1R,2R)-2-(3-methoxyphenyl)-2-methylcyclohexan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(3-methoxyphenyl)-2-methylcyclohexan-1-amine is sourced from PubChem (CID 121227280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).