trans-(1S,2R)-2-ethyl-N-[(2-methoxyphenyl)methyl]cyclohexan-1-amine

C16H25NO — CID 93046208

IUPACtrans-(1S,2R)-2-ethyl-N-[(2-methoxyphenyl)methyl]cyclohexan-1-amine
SMILESCC[C@@H]1CCCC[C@@H]1NCc1ccccc1OC
InChIInChI=1S/C16H25NO/c1-3-13-8-4-6-10-15(13)17-12-14-9-5-7-11-16(14)18-2/h5,7,9,11,13,15,17H,3-4,6,8,10,12H2,1-2H3/t13-,15+/m1/s1
InChIKeyZTMYEYHZVZSFKS-HIFRSBDPSA-N
MW247.38 g/mol
LogP3.75
Rot. Bonds5

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

trans-(1S,2R)-2-ethyl-N-[(2-methoxyphenyl)methyl]cyclohexan-1-amine (PubChem CID 93046208) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is trans-(1S,2R)-2-ethyl-N-[(2-methoxyphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2R)-2-ethyl-N-[(2-methoxyphenyl)methyl]cyclohexan-1-amine
PubChem CID93046208
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Nametrans-(1S,2R)-2-ethyl-N-[(2-methoxyphenyl)methyl]cyclohexan-1-amine
SMILESCC[C@@H]1CCCC[C@@H]1NCc1ccccc1OC
InChIInChI=1S/C16H25NO/c1-3-13-8-4-6-10-15(13)17-12-14-9-5-7-11-16(14)18-2/h5,7,9,11,13,15,17H,3-4,6,8,10,12H2,1-2H3/t13-,15+/m1/s1
InChIKeyZTMYEYHZVZSFKS-HIFRSBDPSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-1-N,2-N-bis[(2-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 71414214
2-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]cyclohexan-1-amine
CID 43784273
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-ethylcyclohexan-1-amine
CID 43434085
2-[2-[[(2-ethylcyclohexyl)amino]methyl]phenoxy]acetonitrile
CID 43434087
2-[(2-methoxyphenyl)methylamino]cyclopentan-1-ol
CID 60713485
N-[(2-methoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331524
N-benzyl-2-ethylcyclohexan-1-amine
CID 43434056
N-[(2,5-difluorophenyl)methyl]-2-ethylcyclohexan-1-amine
CID 43709240
N-[(2-methoxyphenyl)methyl]-2-propylcyclopropan-1-amine
CID 103711434
[2-[(2-fluoro-3-methoxyphenyl)methylamino]cyclohexyl]methanol
CID 106361157
2-cyclopentyl-N-[(2-methoxyphenyl)methyl]piperidin-3-amine
CID 19012952
N-[(3,4-dimethoxyphenyl)methyl]-2-ethylcyclopentan-1-amine
CID 115691314

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-ethyl-N-[(2-methoxyphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of trans-(1S,2R)-2-ethyl-N-[(2-methoxyphenyl)methyl]cyclohexan-1-amine (CID 93046208) is trans-(1S,2R)-2-ethyl-N-[(2-methoxyphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for trans-(1S,2R)-2-ethyl-N-[(2-methoxyphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for trans-(1S,2R)-2-ethyl-N-[(2-methoxyphenyl)methyl]cyclohexan-1-amine is CC[C@@H]1CCCC[C@@H]1NCc1ccccc1OC.
What is the InChIKey of trans-(1S,2R)-2-ethyl-N-[(2-methoxyphenyl)methyl]cyclohexan-1-amine?
The InChIKey is ZTMYEYHZVZSFKS-HIFRSBDPSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-13-8-4-6-10-15(13)17-12-14-9-5-7-11-16(14)18-2/h5,7,9,11,13,15,17H,3-4,6,8,10,12H2,1-2H3/t13-,15+/m1/s1.
What are the key properties of trans-(1S,2R)-2-ethyl-N-[(2-methoxyphenyl)methyl]cyclohexan-1-amine?
trans-(1S,2R)-2-ethyl-N-[(2-methoxyphenyl)methyl]cyclohexan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-ethyl-N-[(2-methoxyphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 93046208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).