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

C16H23NO — CID 62373536

IUPAC1-(cyclohex-3-en-1-ylmethylamino)-2-phenylpropan-2-ol
SMILESCC(O)(CNCC1CC=CCC1)c1ccccc1
InChIInChI=1S/C16H23NO/c1-16(18,15-10-6-3-7-11-15)13-17-12-14-8-4-2-5-9-14/h2-4,6-7,10-11,14,17-18H,5,8-9,12-13H2,1H3
InChIKeyCPHMEZIHHORQJN-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.84
Rot. Bonds5

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

1-(cyclohex-3-en-1-ylmethylamino)-2-phenylpropan-2-ol (PubChem CID 62373536) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-(cyclohex-3-en-1-ylmethylamino)-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-(cyclohex-3-en-1-ylmethylamino)-2-phenylpropan-2-ol
PubChem CID62373536
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-(cyclohex-3-en-1-ylmethylamino)-2-phenylpropan-2-ol
SMILESCC(O)(CNCC1CC=CCC1)c1ccccc1
InChIInChI=1S/C16H23NO/c1-16(18,15-10-6-3-7-11-15)13-17-12-14-8-4-2-5-9-14/h2-4,6-7,10-11,14,17-18H,5,8-9,12-13H2,1H3
InChIKeyCPHMEZIHHORQJN-UHFFFAOYSA-N
XLogP2.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-N-[(2S)-2-hydroxy-2-phenylpropyl]cyclohex-3-ene-1-carboxamide
CID 95986212
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CID 115756802
3-(cyclohex-3-en-1-ylmethylamino)-2,3-dimethylbutan-2-ol
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1-(cyclohex-3-en-1-ylmethylamino)-4-methoxy-2-methylbutan-2-ol
CID 103838373
N-(cyclohex-3-en-1-ylmethyl)-2-methylsulfanylaniline
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1-(oxan-2-ylmethylamino)-2-phenylpropan-2-ol
CID 55068618
(1S)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-phenylethanamine
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CID 55021286
N-(cyclohex-3-en-1-ylmethyl)-3,3-dimethyl-1-phenylbutan-1-amine
CID 43740417
1-N-(cyclopropylmethyl)-2-phenylpropane-1,2-diamine
CID 62487396
2-[2-(cyclohex-3-en-1-ylmethylamino)phenyl]-N-methylacetamide
CID 43692145
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CID 107597677

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohex-3-en-1-ylmethylamino)-2-phenylpropan-2-ol?
The IUPAC name of 1-(cyclohex-3-en-1-ylmethylamino)-2-phenylpropan-2-ol (CID 62373536) is 1-(cyclohex-3-en-1-ylmethylamino)-2-phenylpropan-2-ol.
What is the SMILES notation for 1-(cyclohex-3-en-1-ylmethylamino)-2-phenylpropan-2-ol?
The canonical SMILES for 1-(cyclohex-3-en-1-ylmethylamino)-2-phenylpropan-2-ol is CC(O)(CNCC1CC=CCC1)c1ccccc1.
What is the InChIKey of 1-(cyclohex-3-en-1-ylmethylamino)-2-phenylpropan-2-ol?
The InChIKey is CPHMEZIHHORQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-16(18,15-10-6-3-7-11-15)13-17-12-14-8-4-2-5-9-14/h2-4,6-7,10-11,14,17-18H,5,8-9,12-13H2,1H3.
What are the key properties of 1-(cyclohex-3-en-1-ylmethylamino)-2-phenylpropan-2-ol?
1-(cyclohex-3-en-1-ylmethylamino)-2-phenylpropan-2-ol has a molecular weight of 245.37 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohex-3-en-1-ylmethylamino)-2-phenylpropan-2-ol is sourced from PubChem (CID 62373536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).