(2S)-2-(cyclohex-3-en-1-ylmethylamino)-3-phenylpropan-1-ol

C16H23NO — CID 102610116

IUPAC(2S)-2-(cyclohex-3-en-1-ylmethylamino)-3-phenylpropan-1-ol
SMILESOC[C@H](Cc1ccccc1)NCC1CC=CCC1
InChIInChI=1S/C16H23NO/c18-13-16(11-14-7-3-1-4-8-14)17-12-15-9-5-2-6-10-15/h1-5,7-8,15-18H,6,9-13H2/t15?,16-/m0/s1
InChIKeyKKQMHRYJEJSAFF-LYKKTTPLSA-N
MW245.37 g/mol
LogP2.54
Rot. Bonds6

About (2S)-2-(cyclohex-3-en-1-ylmethylamino)-3-phenylpropan-1-ol

(2S)-2-(cyclohex-3-en-1-ylmethylamino)-3-phenylpropan-1-ol (PubChem CID 102610116) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is (2S)-2-(cyclohex-3-en-1-ylmethylamino)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(2S)-2-(cyclohex-3-en-1-ylmethylamino)-3-phenylpropan-1-ol
PubChem CID102610116
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name(2S)-2-(cyclohex-3-en-1-ylmethylamino)-3-phenylpropan-1-ol
SMILESOC[C@H](Cc1ccccc1)NCC1CC=CCC1
InChIInChI=1S/C16H23NO/c18-13-16(11-14-7-3-1-4-8-14)17-12-15-9-5-2-6-10-15/h1-5,7-8,15-18H,6,9-13H2/t15?,16-/m0/s1
InChIKeyKKQMHRYJEJSAFF-LYKKTTPLSA-N
XLogP2.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2S)-2-(cyclohex-3-en-1-ylmethylamino)-3-phenylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[(4-methylcyclohexyl)methylamino]-3-phenylpropan-1-ol
CID 102610105
(2R)-2-(cyclohex-3-en-1-ylmethylamino)butan-1-ol
CID 103924278
(2S)-2-(cyclohex-3-en-1-ylmethylamino)butan-1-ol
CID 104980641
(2R)-2-[(3-methylcyclohexyl)methylamino]-3-phenylpropan-1-ol
CID 104922944
N-(1-hydroxy-3-phenylpropan-2-yl)cyclohex-3-ene-1-carboxamide
CID 63261072
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclohex-3-ene-1-carboxamide
CID 107861462
2-[(1-methylpiperidin-3-yl)methylamino]-3-phenylpropan-1-ol
CID 55167281
(1S)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-phenylethanamine
CID 40641093
2-[(5,5-dimethyloxolan-2-yl)methylamino]-3-phenylpropan-1-ol
CID 116521447
N-(cyclohex-3-en-1-ylmethyl)-2-methyl-1-phenylpropan-1-amine
CID 43225625
(2R)-2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-2-phenylacetamide
CID 94209163
(2R)-2-[[(1S)-cyclohex-3-en-1-yl]methylamino]-2-phenylacetamide
CID 94209165

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(cyclohex-3-en-1-ylmethylamino)-3-phenylpropan-1-ol?
The IUPAC name of (2S)-2-(cyclohex-3-en-1-ylmethylamino)-3-phenylpropan-1-ol (CID 102610116) is (2S)-2-(cyclohex-3-en-1-ylmethylamino)-3-phenylpropan-1-ol.
What is the SMILES notation for (2S)-2-(cyclohex-3-en-1-ylmethylamino)-3-phenylpropan-1-ol?
The canonical SMILES for (2S)-2-(cyclohex-3-en-1-ylmethylamino)-3-phenylpropan-1-ol is OC[C@H](Cc1ccccc1)NCC1CC=CCC1.
What is the InChIKey of (2S)-2-(cyclohex-3-en-1-ylmethylamino)-3-phenylpropan-1-ol?
The InChIKey is KKQMHRYJEJSAFF-LYKKTTPLSA-N. The full InChI is InChI=1S/C16H23NO/c18-13-16(11-14-7-3-1-4-8-14)17-12-15-9-5-2-6-10-15/h1-5,7-8,15-18H,6,9-13H2/t15?,16-/m0/s1.
What are the key properties of (2S)-2-(cyclohex-3-en-1-ylmethylamino)-3-phenylpropan-1-ol?
(2S)-2-(cyclohex-3-en-1-ylmethylamino)-3-phenylpropan-1-ol has a molecular weight of 245.37 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(cyclohex-3-en-1-ylmethylamino)-3-phenylpropan-1-ol is sourced from PubChem (CID 102610116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).