(Z,4S)-1-(benzylamino)-2-phenyldodec-2-en-4-ol

C25H35NO — CID 11326024

IUPAC(Z,4S)-1-(benzylamino)-2-phenyldodec-2-en-4-ol
SMILESCCCCCCCC[C@H](O)/C=C(\CNCc1ccccc1)c1ccccc1
InChIInChI=1S/C25H35NO/c1-2-3-4-5-6-13-18-25(27)19-24(23-16-11-8-12-17-23)21-26-20-22-14-9-7-10-15-22/h7-12,14-17,19,25-27H,2-6,13,18,20-21H2,1H3/b24-19+/t25-/m0/s1
InChIKeyVEGGDVALDZRBTP-POQGPQTDSA-N
MW365.56 g/mol
LogP5.97
Rot. Bonds13

About (Z,4S)-1-(benzylamino)-2-phenyldodec-2-en-4-ol

(Z,4S)-1-(benzylamino)-2-phenyldodec-2-en-4-ol (PubChem CID 11326024) has the molecular formula C25H35NO and a molecular weight of 365.56 g/mol. Its IUPAC name is (Z,4S)-1-(benzylamino)-2-phenyldodec-2-en-4-ol.

Molecular Properties

Compound Name(Z,4S)-1-(benzylamino)-2-phenyldodec-2-en-4-ol
PubChem CID11326024
Molecular FormulaC25H35NO
Molecular Weight365.56 g/mol
Exact Mass365.27
IUPAC Name(Z,4S)-1-(benzylamino)-2-phenyldodec-2-en-4-ol
SMILESCCCCCCCC[C@H](O)/C=C(\CNCc1ccccc1)c1ccccc1
InChIInChI=1S/C25H35NO/c1-2-3-4-5-6-13-18-25(27)19-24(23-16-11-8-12-17-23)21-26-20-22-14-9-7-10-15-22/h7-12,14-17,19,25-27H,2-6,13,18,20-21H2,1H3/b24-19+/t25-/m0/s1
InChIKeyVEGGDVALDZRBTP-POQGPQTDSA-N
XLogP5.97
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.56
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 20118
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2-(Benzylamino)-1-phenylethanol
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2-[(4-Ethylphenyl)methylamino]-1-phenylethanol;hydrochloride
CID 6459920
1-Phenyl-2-[(4-propan-2-ylphenyl)methylamino]ethanol;hydrochloride
CID 6464095
(2R)-2-(benzylamino)-3-phenylpropan-1-ol
CID 10900780
2-(Benzylamino)-1,2-diphenylethanol
CID 222507
N-methyl-1,2-diphenylethanolamine
CID 99708
BENZYL ALCOHOL, alpha-(1-(N-CINNAMYL-N-METHYLAMINO)ETHYL)-, HYDROCHLORIDE, (+)-
CID 6434842
2-(Benzylamino)-2-phenylethan-1-ol
CID 234875
(1R,2R)-2-(benzylamino)cyclohexanol
CID 2724650

Frequently Asked Questions

What is the IUPAC name of (Z,4S)-1-(benzylamino)-2-phenyldodec-2-en-4-ol?
The IUPAC name of (Z,4S)-1-(benzylamino)-2-phenyldodec-2-en-4-ol (CID 11326024) is (Z,4S)-1-(benzylamino)-2-phenyldodec-2-en-4-ol.
What is the SMILES notation for (Z,4S)-1-(benzylamino)-2-phenyldodec-2-en-4-ol?
The canonical SMILES for (Z,4S)-1-(benzylamino)-2-phenyldodec-2-en-4-ol is CCCCCCCC[C@H](O)/C=C(\CNCc1ccccc1)c1ccccc1.
What is the InChIKey of (Z,4S)-1-(benzylamino)-2-phenyldodec-2-en-4-ol?
The InChIKey is VEGGDVALDZRBTP-POQGPQTDSA-N. The full InChI is InChI=1S/C25H35NO/c1-2-3-4-5-6-13-18-25(27)19-24(23-16-11-8-12-17-23)21-26-20-22-14-9-7-10-15-22/h7-12,14-17,19,25-27H,2-6,13,18,20-21H2,1H3/b24-19+/t25-/m0/s1.
What are the key properties of (Z,4S)-1-(benzylamino)-2-phenyldodec-2-en-4-ol?
(Z,4S)-1-(benzylamino)-2-phenyldodec-2-en-4-ol has a molecular weight of 365.56 g/mol, XLogP of 5.97, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4S)-1-(benzylamino)-2-phenyldodec-2-en-4-ol is sourced from PubChem (CID 11326024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).