(1S)-1-cycloheptyl-N-[1-(4-methylphenyl)ethyl]ethanamine

C18H29N — CID 81389876

IUPAC(1S)-1-cycloheptyl-N-[1-(4-methylphenyl)ethyl]ethanamine
SMILESCc1ccc(C(C)N[C@@H](C)C2CCCCCC2)cc1
InChIInChI=1S/C18H29N/c1-14-10-12-18(13-11-14)16(3)19-15(2)17-8-6-4-5-7-9-17/h10-13,15-17,19H,4-9H2,1-3H3/t15-,16?/m0/s1
InChIKeyMBBVZTNHHFMAIO-VYRBHSGPSA-N
MW259.44 g/mol
LogP5.00
Rot. Bonds4

About (1S)-1-cycloheptyl-N-[1-(4-methylphenyl)ethyl]ethanamine

(1S)-1-cycloheptyl-N-[1-(4-methylphenyl)ethyl]ethanamine (PubChem CID 81389876) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is (1S)-1-cycloheptyl-N-[1-(4-methylphenyl)ethyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-cycloheptyl-N-[1-(4-methylphenyl)ethyl]ethanamine
PubChem CID81389876
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name(1S)-1-cycloheptyl-N-[1-(4-methylphenyl)ethyl]ethanamine
SMILESCc1ccc(C(C)N[C@@H](C)C2CCCCCC2)cc1
InChIInChI=1S/C18H29N/c1-14-10-12-18(13-11-14)16(3)19-15(2)17-8-6-4-5-7-9-17/h10-13,15-17,19H,4-9H2,1-3H3/t15-,16?/m0/s1
InChIKeyMBBVZTNHHFMAIO-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

1-cyclopentyl-N-[1-(4-methylphenyl)ethyl]ethanamine
CID 55097109
1-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]ethanamine
CID 81348448
4-[1-(1-cyclohexylethylamino)ethyl]phenol
CID 62405535
(1S)-1-cyclopentyl-N-[(1R)-1-phenylethyl]ethanamine
CID 67209455
N-[1-(4-methylphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 54863063
1-cyclohexyl-N-[1-(4-methylsulfanylphenyl)ethyl]ethanamine
CID 43783226
(1S)-N-[1-(4-tert-butylphenyl)ethyl]-1-cyclopentylethanamine
CID 81386295
N-[(1S)-1-cyclopentylethyl]-1-(4-methylphenyl)propan-1-amine
CID 81386303
1-(1-ethylpiperidin-4-yl)-N-[(1R)-1-(4-methylphenyl)ethyl]ethanamine
CID 81349060
1-cyclopentyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine
CID 63445435
1-cyclohexyl-N-[1-(4-nitrophenyl)ethyl]ethanamine
CID 62405360
5-[1-[[(1S)-1-cycloheptylethyl]amino]ethyl]benzene-1,3-diol
CID 107706929

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cycloheptyl-N-[1-(4-methylphenyl)ethyl]ethanamine?
The IUPAC name of (1S)-1-cycloheptyl-N-[1-(4-methylphenyl)ethyl]ethanamine (CID 81389876) is (1S)-1-cycloheptyl-N-[1-(4-methylphenyl)ethyl]ethanamine.
What is the SMILES notation for (1S)-1-cycloheptyl-N-[1-(4-methylphenyl)ethyl]ethanamine?
The canonical SMILES for (1S)-1-cycloheptyl-N-[1-(4-methylphenyl)ethyl]ethanamine is Cc1ccc(C(C)N[C@@H](C)C2CCCCCC2)cc1.
What is the InChIKey of (1S)-1-cycloheptyl-N-[1-(4-methylphenyl)ethyl]ethanamine?
The InChIKey is MBBVZTNHHFMAIO-VYRBHSGPSA-N. The full InChI is InChI=1S/C18H29N/c1-14-10-12-18(13-11-14)16(3)19-15(2)17-8-6-4-5-7-9-17/h10-13,15-17,19H,4-9H2,1-3H3/t15-,16?/m0/s1.
What are the key properties of (1S)-1-cycloheptyl-N-[1-(4-methylphenyl)ethyl]ethanamine?
(1S)-1-cycloheptyl-N-[1-(4-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-(4-methylphenyl)ethyl]ethanamine is sourced from PubChem (CID 81389876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).