3-ethyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-amine

C17H27NO — CID 81371165

IUPAC3-ethyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-amine
SMILESCCC1CCCC(N[C@H](C)c2ccc(OC)cc2)C1
InChIInChI=1S/C17H27NO/c1-4-14-6-5-7-16(12-14)18-13(2)15-8-10-17(19-3)11-9-15/h8-11,13-14,16,18H,4-7,12H2,1-3H3/t13-,14?,16?/m1/s1
InChIKeyYJZLAWRPITVPEM-VQCLRJIVSA-N
MW261.41 g/mol
LogP4.31
Rot. Bonds5

About 3-ethyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-amine

3-ethyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-amine (PubChem CID 81371165) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-ethyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-ethyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-amine
PubChem CID81371165
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name3-ethyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-amine
SMILESCCC1CCCC(N[C@H](C)c2ccc(OC)cc2)C1
InChIInChI=1S/C17H27NO/c1-4-14-6-5-7-16(12-14)18-13(2)15-8-10-17(19-3)11-9-15/h8-11,13-14,16,18H,4-7,12H2,1-3H3/t13-,14?,16?/m1/s1
InChIKeyYJZLAWRPITVPEM-VQCLRJIVSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428628
3-ethyl-N-[1-(4-iodophenyl)ethyl]cyclohexan-1-amine
CID 64742976
N-[1-(4-methoxyphenyl)ethyl]cyclohexanamine
CID 43189950
2-[(3-ethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
CID 64743967
3-[1-(4-methoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 65066346
(1S)-N-(cyclobutylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371090
N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-methylcycloheptan-1-amine
CID 81370708
3-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine
CID 103905316
3-ethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclopentan-1-amine
CID 81349259
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methylcyclobutan-1-amine
CID 103562144
N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidin-3-amine
CID 81370566
4-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1,4-diamine
CID 55062721

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-amine?
The IUPAC name of 3-ethyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-amine (CID 81371165) is 3-ethyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 3-ethyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 3-ethyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-amine is CCC1CCCC(N[C@H](C)c2ccc(OC)cc2)C1.
What is the InChIKey of 3-ethyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-amine?
The InChIKey is YJZLAWRPITVPEM-VQCLRJIVSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-14-6-5-7-16(12-14)18-13(2)15-8-10-17(19-3)11-9-15/h8-11,13-14,16,18H,4-7,12H2,1-3H3/t13-,14?,16?/m1/s1.
What are the key properties of 3-ethyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-amine?
3-ethyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 81371165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).