(2R)-1-imino-4-phenylbutan-2-ol

C10H13NO — CID 11333114

IUPAC(2R)-1-imino-4-phenylbutan-2-ol
SMILES[H]/N=C/[C@H](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+/t10-/m1/s1
InChIKeyDMPWMLUFVSSICS-MXBGMFSPSA-N
MW163.22 g/mol
LogP1.63
Rot. Bonds4

About (2R)-1-imino-4-phenylbutan-2-ol

(2R)-1-imino-4-phenylbutan-2-ol (PubChem CID 11333114) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is (2R)-1-imino-4-phenylbutan-2-ol.

Molecular Properties

Compound Name(2R)-1-imino-4-phenylbutan-2-ol
PubChem CID11333114
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name(2R)-1-imino-4-phenylbutan-2-ol
SMILES[H]/N=C/[C@H](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+/t10-/m1/s1
InChIKeyDMPWMLUFVSSICS-MXBGMFSPSA-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

(3R,4R)-1,6-diphenylhexane-3,4-diol;dihydrochloride
CID 67941860
(Z,3R)-1-phenylhex-4-en-3-ol
CID 129363881
(4S)-4-methyl-1-phenylhex-5-en-3-ol
CID 12938739
(3S)-4-methyl-1-phenylhex-5-en-3-ol
CID 177392866
1,5-diphenylpentan-3-ol;hydrochloride
CID 139805992
1-phenylhept-6-yn-3-ol
CID 63657298
(E,3R)-1,5-diphenylhex-4-en-3-ol
CID 15635013
(E)-6-bromo-5-methyl-1-phenylhex-4-en-3-ol
CID 11701728
2-[(Z)-3-hydroxy-5-phenylpent-1-enyl]phenol
CID 11097132
(3S,4E,6E)-1,7-diphenylhepta-4,6-dien-3-ol
CID 5324474
(4R)-4-hydroxy-6-phenylhexanenitrile
CID 15648925
magnesium;ethene;5-phenylpent-1-en-3-ol;3-phenylpropanal;bromide
CID 162165297

Frequently Asked Questions

What is the IUPAC name of (2R)-1-imino-4-phenylbutan-2-ol?
The IUPAC name of (2R)-1-imino-4-phenylbutan-2-ol (CID 11333114) is (2R)-1-imino-4-phenylbutan-2-ol.
What is the SMILES notation for (2R)-1-imino-4-phenylbutan-2-ol?
The canonical SMILES for (2R)-1-imino-4-phenylbutan-2-ol is [H]/N=C/[C@H](O)CCc1ccccc1.
What is the InChIKey of (2R)-1-imino-4-phenylbutan-2-ol?
The InChIKey is DMPWMLUFVSSICS-MXBGMFSPSA-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+/t10-/m1/s1.
What are the key properties of (2R)-1-imino-4-phenylbutan-2-ol?
(2R)-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 (2R)-1-imino-4-phenylbutan-2-ol is sourced from PubChem (CID 11333114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).