trans-(1R,2R)-2-methoxy-N-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-amine

C16H25NO2 — CID 791634

IUPACtrans-(1R,2R)-2-methoxy-N-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-amine
SMILESCOc1ccc(CCN[C@@H]2CCCC[C@H]2OC)cc1
InChIInChI=1S/C16H25NO2/c1-18-14-9-7-13(8-10-14)11-12-17-15-5-3-4-6-16(15)19-2/h7-10,15-17H,3-6,11-12H2,1-2H3/t15-,16-/m1/s1
InChIKeyKGOUXTPCLRWHSH-HZPDHXFCSA-N
MW263.38 g/mol
LogP2.78
Rot. Bonds6

About trans-(1R,2R)-2-methoxy-N-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-amine

trans-(1R,2R)-2-methoxy-N-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-amine (PubChem CID 791634) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is trans-(1R,2R)-2-methoxy-N-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-methoxy-N-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-amine
PubChem CID791634
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Nametrans-(1R,2R)-2-methoxy-N-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-amine
SMILESCOc1ccc(CCN[C@@H]2CCCC[C@H]2OC)cc1
InChIInChI=1S/C16H25NO2/c1-18-14-9-7-13(8-10-14)11-12-17-15-5-3-4-6-16(15)19-2/h7-10,15-17H,3-6,11-12H2,1-2H3/t15-,16-/m1/s1
InChIKeyKGOUXTPCLRWHSH-HZPDHXFCSA-N
XLogP2.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-N-[2-(4-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 791642
N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylcyclohexan-1-amine
CID 103775345
N-[2-(4-methoxyphenyl)ethyl]cyclohexanamine;hydrochloride
CID 23106150
cis-(1R,2S)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methoxycyclohexan-1-amine
CID 7108642
N-[2-(4-methoxyphenyl)ethyl]-2,6-dimethylcyclohexan-1-amine
CID 43082252
N-[2-(3-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 3116423
cis-(1S,2R)-2-methoxy-N-[2-(2-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 768559
trans-(1S,2S)-2-methoxy-N-[2-(2-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 768564
trans-(1R,2R)-1-N,2-N-bis[(4-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 11314223
(1R,2S,4S)-N-[2-(4-methoxyphenyl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 784416
trans-(1R,3R)-N-[2-(4-methoxyphenyl)ethyl]-3-methylcyclohexan-1-amine
CID 784361
[(1R,2S)-2-methoxycyclohexyl]-[2-(4-methoxyphenyl)ethyl]azanium
CID 6944161

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-methoxy-N-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-amine?
The IUPAC name of trans-(1R,2R)-2-methoxy-N-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-amine (CID 791634) is trans-(1R,2R)-2-methoxy-N-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for trans-(1R,2R)-2-methoxy-N-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-amine?
The canonical SMILES for trans-(1R,2R)-2-methoxy-N-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-amine is COc1ccc(CCN[C@@H]2CCCC[C@H]2OC)cc1.
What is the InChIKey of trans-(1R,2R)-2-methoxy-N-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-amine?
The InChIKey is KGOUXTPCLRWHSH-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H25NO2/c1-18-14-9-7-13(8-10-14)11-12-17-15-5-3-4-6-16(15)19-2/h7-10,15-17H,3-6,11-12H2,1-2H3/t15-,16-/m1/s1.
What are the key properties of trans-(1R,2R)-2-methoxy-N-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-amine?
trans-(1R,2R)-2-methoxy-N-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-methoxy-N-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 791634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).