(3R)-4-[[(1R)-cyclohex-3-en-1-yl]methylamino]-3-phenylbutan-1-ol

C17H25NO — CID 97240092

IUPAC(3R)-4-[[(1R)-cyclohex-3-en-1-yl]methylamino]-3-phenylbutan-1-ol
SMILESOCC[C@@H](CNC[C@H]1CC=CCC1)c1ccccc1
InChIInChI=1S/C17H25NO/c19-12-11-17(16-9-5-2-6-10-16)14-18-13-15-7-3-1-4-8-15/h1-3,5-6,9-10,15,17-19H,4,7-8,11-14H2/t15-,17-/m0/s1
InChIKeyIDUZIMCYFZTBPD-RDJZCZTQSA-N
MW259.39 g/mol
LogP3.10
Rot. Bonds7

About (3R)-4-[[(1R)-cyclohex-3-en-1-yl]methylamino]-3-phenylbutan-1-ol

(3R)-4-[[(1R)-cyclohex-3-en-1-yl]methylamino]-3-phenylbutan-1-ol (PubChem CID 97240092) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is (3R)-4-[[(1R)-cyclohex-3-en-1-yl]methylamino]-3-phenylbutan-1-ol.

Molecular Properties

Compound Name(3R)-4-[[(1R)-cyclohex-3-en-1-yl]methylamino]-3-phenylbutan-1-ol
PubChem CID97240092
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name(3R)-4-[[(1R)-cyclohex-3-en-1-yl]methylamino]-3-phenylbutan-1-ol
SMILESOCC[C@@H](CNC[C@H]1CC=CCC1)c1ccccc1
InChIInChI=1S/C17H25NO/c19-12-11-17(16-9-5-2-6-10-16)14-18-13-15-7-3-1-4-8-15/h1-3,5-6,9-10,15,17-19H,4,7-8,11-14H2/t15-,17-/m0/s1
InChIKeyIDUZIMCYFZTBPD-RDJZCZTQSA-N
XLogP3.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3R)-4-[[(1R)-cyclohex-3-en-1-yl]methylamino]-3-phenylbutan-1-ol with MolForge

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Related Compounds

3-(cyclohex-3-en-1-ylmethylamino)-2-phenylpropanoic acid
CID 64560568
(1S)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-phenylethanamine
CID 40641093
N-[(2S)-4-hydroxy-2-phenylbutyl]cyclopent-3-ene-1-carboxamide
CID 97054329
N-(cyclohex-3-en-1-ylmethyl)-2-methyl-1-phenylpropan-1-amine
CID 43225625
(2R)-2-[[(1S)-cyclohex-3-en-1-yl]methylamino]-2-phenylacetamide
CID 94209165
(2R)-2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-2-phenylacetamide
CID 94209163
(2S)-2-(cyclohex-3-en-1-ylmethylamino)-3-phenylpropan-1-ol
CID 102610116
N-(cyclohex-3-en-1-ylmethyl)-2-phenoxyethanamine
CID 55021286
1-(cyclohex-3-en-1-ylmethylamino)-2-phenylpropan-2-ol
CID 62373536
N-(cyclohex-3-en-1-ylmethyl)-3,3-dimethyl-1-phenylbutan-1-amine
CID 43740417
N-(cyclobutylmethyl)-2,2-diphenylethanamine
CID 107292720
N-(cyclopentylmethyl)-2,2-diphenylethanamine
CID 107292721

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[[(1R)-cyclohex-3-en-1-yl]methylamino]-3-phenylbutan-1-ol?
The IUPAC name of (3R)-4-[[(1R)-cyclohex-3-en-1-yl]methylamino]-3-phenylbutan-1-ol (CID 97240092) is (3R)-4-[[(1R)-cyclohex-3-en-1-yl]methylamino]-3-phenylbutan-1-ol.
What is the SMILES notation for (3R)-4-[[(1R)-cyclohex-3-en-1-yl]methylamino]-3-phenylbutan-1-ol?
The canonical SMILES for (3R)-4-[[(1R)-cyclohex-3-en-1-yl]methylamino]-3-phenylbutan-1-ol is OCC[C@@H](CNC[C@H]1CC=CCC1)c1ccccc1.
What is the InChIKey of (3R)-4-[[(1R)-cyclohex-3-en-1-yl]methylamino]-3-phenylbutan-1-ol?
The InChIKey is IDUZIMCYFZTBPD-RDJZCZTQSA-N. The full InChI is InChI=1S/C17H25NO/c19-12-11-17(16-9-5-2-6-10-16)14-18-13-15-7-3-1-4-8-15/h1-3,5-6,9-10,15,17-19H,4,7-8,11-14H2/t15-,17-/m0/s1.
What are the key properties of (3R)-4-[[(1R)-cyclohex-3-en-1-yl]methylamino]-3-phenylbutan-1-ol?
(3R)-4-[[(1R)-cyclohex-3-en-1-yl]methylamino]-3-phenylbutan-1-ol has a molecular weight of 259.39 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[[(1R)-cyclohex-3-en-1-yl]methylamino]-3-phenylbutan-1-ol is sourced from PubChem (CID 97240092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).