(1S)-1-(2-methoxyphenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine

C17H27NO — CID 81397121

IUPAC(1S)-1-(2-methoxyphenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine
SMILESCOc1ccccc1[C@H](C)NCC1CCCC(C)C1
InChIInChI=1S/C17H27NO/c1-13-7-6-8-15(11-13)12-18-14(2)16-9-4-5-10-17(16)19-3/h4-5,9-10,13-15,18H,6-8,11-12H2,1-3H3/t13?,14-,15?/m0/s1
InChIKeyKSTOIVMCIDTQMF-SLTAFYQDSA-N
MW261.41 g/mol
LogP4.17
Rot. Bonds5

About (1S)-1-(2-methoxyphenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine

(1S)-1-(2-methoxyphenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine (PubChem CID 81397121) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is (1S)-1-(2-methoxyphenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(2-methoxyphenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine
PubChem CID81397121
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name(1S)-1-(2-methoxyphenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine
SMILESCOc1ccccc1[C@H](C)NCC1CCCC(C)C1
InChIInChI=1S/C17H27NO/c1-13-7-6-8-15(11-13)12-18-14(2)16-9-4-5-10-17(16)19-3/h4-5,9-10,13-15,18H,6-8,11-12H2,1-3H3/t13?,14-,15?/m0/s1
InChIKeyKSTOIVMCIDTQMF-SLTAFYQDSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 81397127
N-[(3-methylcyclopentyl)methyl]-1-(2-methylphenyl)ethanamine
CID 107411455
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 103276062
N-(2-cyclohexylethyl)-1-(2-methoxyphenyl)ethanamine
CID 54931731
1-(2-fluorophenyl)-N-[(3-methylcyclopentyl)methyl]ethanamine
CID 107411471
2-(2-methoxyphenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 106259721
(1R)-1-(2-chlorophenyl)-N-(cyclobutylmethyl)ethanamine
CID 81377860
N-(cyclopropylmethyl)-1-(2-propan-2-yloxyphenyl)ethanamine
CID 43735006
(1S)-1-(4-bromophenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 81359380
1-(2-butan-2-yloxyphenyl)-N-(cyclohexylmethyl)ethanamine
CID 54804387
(1S)-1-(3-bromophenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 81382312
(1R)-N-[(3-methylcyclohexyl)methyl]-1-pyridin-3-ylethanamine
CID 81404492

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-methoxyphenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine?
The IUPAC name of (1S)-1-(2-methoxyphenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine (CID 81397121) is (1S)-1-(2-methoxyphenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(2-methoxyphenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(2-methoxyphenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine is COc1ccccc1[C@H](C)NCC1CCCC(C)C1.
What is the InChIKey of (1S)-1-(2-methoxyphenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine?
The InChIKey is KSTOIVMCIDTQMF-SLTAFYQDSA-N. The full InChI is InChI=1S/C17H27NO/c1-13-7-6-8-15(11-13)12-18-14(2)16-9-4-5-10-17(16)19-3/h4-5,9-10,13-15,18H,6-8,11-12H2,1-3H3/t13?,14-,15?/m0/s1.
What are the key properties of (1S)-1-(2-methoxyphenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine?
(1S)-1-(2-methoxyphenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine has a molecular weight of 261.41 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-methoxyphenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 81397121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).