1-imino-4-phenylbutan-2-ol

C10H13NO — CID 21043164

IUPAC1-imino-4-phenylbutan-2-ol
SMILES[H]/N=C/C(O)CCc1ccccc1
InChIInChI=1S/C10H13NO/c11-8-10(12)7-6-9-4-2-1-3-5-9/h1-5,8,10-12H,6-7H2/b11-8+
InChIKeyDMPWMLUFVSSICS-DHZHZOJOSA-N
MW163.22 g/mol
LogP1.63
Rot. Bonds4

About 1-imino-4-phenylbutan-2-ol

1-imino-4-phenylbutan-2-ol (PubChem CID 21043164) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 1-imino-4-phenylbutan-2-ol.

Molecular Properties

Compound Name1-imino-4-phenylbutan-2-ol
PubChem CID21043164
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name1-imino-4-phenylbutan-2-ol
SMILES[H]/N=C/C(O)CCc1ccccc1
InChIInChI=1S/C10H13NO/c11-8-10(12)7-6-9-4-2-1-3-5-9/h1-5,8,10-12H,6-7H2/b11-8+
InChIKeyDMPWMLUFVSSICS-DHZHZOJOSA-N
XLogP1.63
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-hydroxyimino-1-phenylethanol
CID 13332651
1-Amino-4-phenylbutan-2-ol
CID 15760987
5-(2-Phenylethyl)-4,5-dihydro-1,2-oxazole
CID 22321566
(2R)-1-amino-4-phenylbutan-2-ol
CID 22880873
(2S)-1-amino-4-phenylbutan-2-ol
CID 53230508
z-Mandelaldoxime
CID 101736331
Hydroxyphenylacetaldoxime
CID 129633081
5-Benzylisoxazoline
CID 129754876
3-(4-Fluorophenyl)-2-iminopropan-1-ol
CID 58458935
4-(4-Fluorophenyl)-4-methanimidoylcyclohexan-1-ol
CID 117972205
3-(3,4-Difluorophenyl)-6-imino-3-(2-iminoethyl)hexan-1-ol
CID 145828612
1-(3,4-Difluorophenyl)-3-hydroxyiminopropan-2-ol
CID 173232415

Frequently Asked Questions

What is the IUPAC name of 1-imino-4-phenylbutan-2-ol?
The IUPAC name of 1-imino-4-phenylbutan-2-ol (CID 21043164) is 1-imino-4-phenylbutan-2-ol.
What is the SMILES notation for 1-imino-4-phenylbutan-2-ol?
The canonical SMILES for 1-imino-4-phenylbutan-2-ol is [H]/N=C/C(O)CCc1ccccc1.
What is the InChIKey of 1-imino-4-phenylbutan-2-ol?
The InChIKey is DMPWMLUFVSSICS-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H13NO/c11-8-10(12)7-6-9-4-2-1-3-5-9/h1-5,8,10-12H,6-7H2/b11-8+.
What are the key properties of 1-imino-4-phenylbutan-2-ol?
1-imino-4-phenylbutan-2-ol has a molecular weight of 163.22 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imino-4-phenylbutan-2-ol is sourced from PubChem (CID 21043164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).