(1S)-1-cycloheptyl-N-[1-(2-methylphenyl)ethyl]ethanamine

C18H29N — CID 81390722

IUPAC(1S)-1-cycloheptyl-N-[1-(2-methylphenyl)ethyl]ethanamine
SMILESCc1ccccc1C(C)N[C@@H](C)C1CCCCCC1
InChIInChI=1S/C18H29N/c1-14-10-8-9-13-18(14)16(3)19-15(2)17-11-6-4-5-7-12-17/h8-10,13,15-17,19H,4-7,11-12H2,1-3H3/t15-,16?/m0/s1
InChIKeyUPNPRUICHMKIPA-VYRBHSGPSA-N
MW259.44 g/mol
LogP5.00
Rot. Bonds4

About (1S)-1-cycloheptyl-N-[1-(2-methylphenyl)ethyl]ethanamine

(1S)-1-cycloheptyl-N-[1-(2-methylphenyl)ethyl]ethanamine (PubChem CID 81390722) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is (1S)-1-cycloheptyl-N-[1-(2-methylphenyl)ethyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-cycloheptyl-N-[1-(2-methylphenyl)ethyl]ethanamine
PubChem CID81390722
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name(1S)-1-cycloheptyl-N-[1-(2-methylphenyl)ethyl]ethanamine
SMILESCc1ccccc1C(C)N[C@@H](C)C1CCCCCC1
InChIInChI=1S/C18H29N/c1-14-10-8-9-13-18(14)16(3)19-15(2)17-11-6-4-5-7-12-17/h8-10,13,15-17,19H,4-7,11-12H2,1-3H3/t15-,16?/m0/s1
InChIKeyUPNPRUICHMKIPA-VYRBHSGPSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.44
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-(2-bromophenyl)ethyl]-1-cyclohexylethanamine
CID 81383230
(1R)-N-[1-(2-chlorophenyl)ethyl]-1-cyclohexylethanamine
CID 81384547
(1S)-N-[1-(2-bromophenyl)ethyl]-1-cycloheptylethanamine
CID 81389871
N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclohexylethanamine
CID 81383884
(1S)-1-cycloheptyl-N-[1-(2,5-dimethylphenyl)ethyl]ethanamine
CID 81390923
(1R)-N-[1-(2-chlorophenyl)ethyl]-1-cyclopentylethanamine
CID 81395665
N-[1-(2-methylphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 43308252
N-[1-(2-methylphenyl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 115704048
(1S)-1-cyclohexyl-N-[1-[2-(difluoromethoxy)phenyl]ethyl]ethanamine
CID 81390973
(1S)-1-cyclopentyl-N-[1-(2,4,5-trimethylphenyl)ethyl]ethanamine
CID 81385919
(1S)-1-cyclopentyl-N-[(1R)-1-phenylethyl]ethanamine
CID 67209455
1-cyclobutyl-N-[(1S)-1-(2-methylphenyl)ethyl]propan-2-amine
CID 113489913

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cycloheptyl-N-[1-(2-methylphenyl)ethyl]ethanamine?
The IUPAC name of (1S)-1-cycloheptyl-N-[1-(2-methylphenyl)ethyl]ethanamine (CID 81390722) is (1S)-1-cycloheptyl-N-[1-(2-methylphenyl)ethyl]ethanamine.
What is the SMILES notation for (1S)-1-cycloheptyl-N-[1-(2-methylphenyl)ethyl]ethanamine?
The canonical SMILES for (1S)-1-cycloheptyl-N-[1-(2-methylphenyl)ethyl]ethanamine is Cc1ccccc1C(C)N[C@@H](C)C1CCCCCC1.
What is the InChIKey of (1S)-1-cycloheptyl-N-[1-(2-methylphenyl)ethyl]ethanamine?
The InChIKey is UPNPRUICHMKIPA-VYRBHSGPSA-N. The full InChI is InChI=1S/C18H29N/c1-14-10-8-9-13-18(14)16(3)19-15(2)17-11-6-4-5-7-12-17/h8-10,13,15-17,19H,4-7,11-12H2,1-3H3/t15-,16?/m0/s1.
What are the key properties of (1S)-1-cycloheptyl-N-[1-(2-methylphenyl)ethyl]ethanamine?
(1S)-1-cycloheptyl-N-[1-(2-methylphenyl)ethyl]ethanamine has a molecular weight of 259.44 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cycloheptyl-N-[1-(2-methylphenyl)ethyl]ethanamine is sourced from PubChem (CID 81390722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).