1-anilino-3-imino-2-methylpropan-1-ol

C10H14N2O — CID 163682971

IUPAC1-anilino-3-imino-2-methylpropan-1-ol
SMILES[H]/N=C/C(C)C(O)Nc1ccccc1
InChIInChI=1S/C10H14N2O/c1-8(7-11)10(13)12-9-5-3-2-4-6-9/h2-8,10-13H,1H3/b11-7+
InChIKeyJMJIPJZPHNEGNS-YRNVUSSQSA-N
MW178.24 g/mol
LogP1.70
Rot. Bonds4

About 1-anilino-3-imino-2-methylpropan-1-ol

1-anilino-3-imino-2-methylpropan-1-ol (PubChem CID 163682971) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 1-anilino-3-imino-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-anilino-3-imino-2-methylpropan-1-ol
PubChem CID163682971
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name1-anilino-3-imino-2-methylpropan-1-ol
SMILES[H]/N=C/C(C)C(O)Nc1ccccc1
InChIInChI=1S/C10H14N2O/c1-8(7-11)10(13)12-9-5-3-2-4-6-9/h2-8,10-13H,1H3/b11-7+
InChIKeyJMJIPJZPHNEGNS-YRNVUSSQSA-N
XLogP1.70
TPSA56.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-anilinoethanol;hydrate
CID 173450384
3-anilinobutan-2-ol
CID 13494330
1-anilinoethanolate;zirconium(3+);dichloride
CID 174375257
(2R)-3-imino-2-methyl-1-phenylpropan-1-one
CID 7157390
(1S,2S)-1-anilino-1-phenylpropan-2-ol
CID 166445226
(2R)-2-methyl-3-phenylpropan-1-imine
CID 59990579
1-N-methyl-1-N'-phenylethane-1,1-diamine
CID 88759522
2-anilinopropanoic acid;hydrochloride
CID 19096756
(2S)-2-anilino-3-oxopropanimidamide
CID 91475608
3-anilino-2-methylidenebutanal
CID 71490477
2-anilinopropanoate
CID 19754798
(2R)-2-anilinopropanoate
CID 6946450

Frequently Asked Questions

What is the IUPAC name of 1-anilino-3-imino-2-methylpropan-1-ol?
The IUPAC name of 1-anilino-3-imino-2-methylpropan-1-ol (CID 163682971) is 1-anilino-3-imino-2-methylpropan-1-ol.
What is the SMILES notation for 1-anilino-3-imino-2-methylpropan-1-ol?
The canonical SMILES for 1-anilino-3-imino-2-methylpropan-1-ol is [H]/N=C/C(C)C(O)Nc1ccccc1.
What is the InChIKey of 1-anilino-3-imino-2-methylpropan-1-ol?
The InChIKey is JMJIPJZPHNEGNS-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H14N2O/c1-8(7-11)10(13)12-9-5-3-2-4-6-9/h2-8,10-13H,1H3/b11-7+.
What are the key properties of 1-anilino-3-imino-2-methylpropan-1-ol?
1-anilino-3-imino-2-methylpropan-1-ol has a molecular weight of 178.24 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilino-3-imino-2-methylpropan-1-ol is sourced from PubChem (CID 163682971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).