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

C17H27NO — CID 81390552

IUPAC(1S)-1-cycloheptyl-N-[(3-methoxyphenyl)methyl]ethanamine
SMILESCOc1cccc(CN[C@@H](C)C2CCCCCC2)c1
InChIInChI=1S/C17H27NO/c1-14(16-9-5-3-4-6-10-16)18-13-15-8-7-11-17(12-15)19-2/h7-8,11-12,14,16,18H,3-6,9-10,13H2,1-2H3/t14-/m0/s1
InChIKeyPTUHXOVPNCPRGF-AWEZNQCLSA-N
MW261.41 g/mol
LogP4.14
Rot. Bonds5

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

(1S)-1-cycloheptyl-N-[(3-methoxyphenyl)methyl]ethanamine (PubChem CID 81390552) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is (1S)-1-cycloheptyl-N-[(3-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-cycloheptyl-N-[(3-methoxyphenyl)methyl]ethanamine
PubChem CID81390552
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name(1S)-1-cycloheptyl-N-[(3-methoxyphenyl)methyl]ethanamine
SMILESCOc1cccc(CN[C@@H](C)C2CCCCCC2)c1
InChIInChI=1S/C17H27NO/c1-14(16-9-5-3-4-6-10-16)18-13-15-8-7-11-17(12-15)19-2/h7-8,11-12,14,16,18H,3-6,9-10,13H2,1-2H3/t14-/m0/s1
InChIKeyPTUHXOVPNCPRGF-AWEZNQCLSA-N
XLogP4.14
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 ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-cyclohexyl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 81387045
(1R)-1-cycloheptyl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 81392096
(1S)-1-cycloheptyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 81390243
1-cyclohexyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 63476778
(1R)-1-cyclopentyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 81394417
(1S)-1-cyclopentyl-N-[(3,5-dimethoxyphenyl)methyl]ethanamine
CID 81385952
(1R)-1-cyclopentyl-N-[(3,5-dimethoxyphenyl)methyl]ethanamine
CID 81395158
(1S)-1-cyclopentyl-N-[(3-propoxyphenyl)methyl]ethanamine
CID 81386219
(1S)-1-cycloheptyl-N-[(3-cyclopropylphenyl)methyl]ethanamine
CID 81391460
(1S)-N-[(3-chlorophenyl)methyl]-1-cycloheptylethanamine
CID 81388927
(1S)-N-[(3-bromophenyl)methyl]-1-cycloheptylethanamine
CID 81388696
(1S)-N-[(3-bromophenyl)methyl]-1-cyclohexylethanamine
CID 81387900

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cycloheptyl-N-[(3-methoxyphenyl)methyl]ethanamine?
The IUPAC name of (1S)-1-cycloheptyl-N-[(3-methoxyphenyl)methyl]ethanamine (CID 81390552) is (1S)-1-cycloheptyl-N-[(3-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-cycloheptyl-N-[(3-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for (1S)-1-cycloheptyl-N-[(3-methoxyphenyl)methyl]ethanamine is COc1cccc(CN[C@@H](C)C2CCCCCC2)c1.
What is the InChIKey of (1S)-1-cycloheptyl-N-[(3-methoxyphenyl)methyl]ethanamine?
The InChIKey is PTUHXOVPNCPRGF-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H27NO/c1-14(16-9-5-3-4-6-10-16)18-13-15-8-7-11-17(12-15)19-2/h7-8,11-12,14,16,18H,3-6,9-10,13H2,1-2H3/t14-/m0/s1.
What are the key properties of (1S)-1-cycloheptyl-N-[(3-methoxyphenyl)methyl]ethanamine?
(1S)-1-cycloheptyl-N-[(3-methoxyphenyl)methyl]ethanamine has a molecular weight of 261.41 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cycloheptyl-N-[(3-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 81390552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).