4-benzyl-1-(2-phenylethyl)-4-(prop-2-enylamino)cyclohexan-1-ol

C24H31NO — CID 10134711

IUPAC4-benzyl-1-(2-phenylethyl)-4-(prop-2-enylamino)cyclohexan-1-ol
SMILESC=CCNC1(Cc2ccccc2)CCC(O)(CCc2ccccc2)CC1
InChIInChI=1S/C24H31NO/c1-2-19-25-23(20-22-11-7-4-8-12-22)15-17-24(26,18-16-23)14-13-21-9-5-3-6-10-21/h2-12,25-26H,1,13-20H2
InChIKeyNZYMUGQNQZSEAC-UHFFFAOYSA-N
MW349.52 g/mol
LogP4.68
Rot. Bonds8

About 4-benzyl-1-(2-phenylethyl)-4-(prop-2-enylamino)cyclohexan-1-ol

4-benzyl-1-(2-phenylethyl)-4-(prop-2-enylamino)cyclohexan-1-ol (PubChem CID 10134711) has the molecular formula C24H31NO and a molecular weight of 349.52 g/mol. Its IUPAC name is 4-benzyl-1-(2-phenylethyl)-4-(prop-2-enylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-benzyl-1-(2-phenylethyl)-4-(prop-2-enylamino)cyclohexan-1-ol
PubChem CID10134711
Molecular FormulaC24H31NO
Molecular Weight349.52 g/mol
Exact Mass349.24
IUPAC Name4-benzyl-1-(2-phenylethyl)-4-(prop-2-enylamino)cyclohexan-1-ol
SMILESC=CCNC1(Cc2ccccc2)CCC(O)(CCc2ccccc2)CC1
InChIInChI=1S/C24H31NO/c1-2-19-25-23(20-22-11-7-4-8-12-22)15-17-24(26,18-16-23)14-13-21-9-5-3-6-10-21/h2-12,25-26H,1,13-20H2
InChIKeyNZYMUGQNQZSEAC-UHFFFAOYSA-N
XLogP4.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 54.68
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

1-(2-phenylethyl)cyclopent-3-en-1-ol
CID 139771599
1-[2-(4-ethenylphenyl)ethyl]cyclopropan-1-ol
CID 129180532
4-(dimethylamino)-1,4-bis(2-phenylethyl)cyclohexan-1-ol
CID 10157071
N-(1-benzylcyclopropyl)prop-2-enamide
CID 146108145
4-(dimethylamino)-1,4-bis(2-phenylethyl)cyclohexan-1-ol;hydrochloride
CID 10157070
1-methyl-4-(2-phenylethyl)piperidin-4-ol
CID 10751359
1-benzyl-4-(2-phenylethyl)piperidin-4-ol
CID 143477186
3-(2-phenylethyl)oxetan-3-ol
CID 83683318
N-methyl-1-(2-phenylethyl)cyclopropan-1-amine
CID 83683099
4-(aminomethyl)-1-benzyl-N-prop-2-enylpiperidin-4-amine
CID 65382815
4,4-dimethyl-1-(3-phenylpropyl)cyclohexan-1-ol
CID 10490686
4-methyl-1-(2-phenylethyl)cycloheptan-1-ol
CID 65085385

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-(2-phenylethyl)-4-(prop-2-enylamino)cyclohexan-1-ol?
The IUPAC name of 4-benzyl-1-(2-phenylethyl)-4-(prop-2-enylamino)cyclohexan-1-ol (CID 10134711) is 4-benzyl-1-(2-phenylethyl)-4-(prop-2-enylamino)cyclohexan-1-ol.
What is the SMILES notation for 4-benzyl-1-(2-phenylethyl)-4-(prop-2-enylamino)cyclohexan-1-ol?
The canonical SMILES for 4-benzyl-1-(2-phenylethyl)-4-(prop-2-enylamino)cyclohexan-1-ol is C=CCNC1(Cc2ccccc2)CCC(O)(CCc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-1-(2-phenylethyl)-4-(prop-2-enylamino)cyclohexan-1-ol?
The InChIKey is NZYMUGQNQZSEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO/c1-2-19-25-23(20-22-11-7-4-8-12-22)15-17-24(26,18-16-23)14-13-21-9-5-3-6-10-21/h2-12,25-26H,1,13-20H2.
What are the key properties of 4-benzyl-1-(2-phenylethyl)-4-(prop-2-enylamino)cyclohexan-1-ol?
4-benzyl-1-(2-phenylethyl)-4-(prop-2-enylamino)cyclohexan-1-ol has a molecular weight of 349.52 g/mol, XLogP of 4.68, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(2-phenylethyl)-4-(prop-2-enylamino)cyclohexan-1-ol is sourced from PubChem (CID 10134711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).