3-anilinobutan-2-ol

C10H15NO — CID 13494330

IUPAC3-anilinobutan-2-ol
SMILESCC(O)C(C)Nc1ccccc1
InChIInChI=1S/C10H15NO/c1-8(9(2)12)11-10-6-4-3-5-7-10/h3-9,11-12H,1-2H3
InChIKeyXTYMSXNQWSWSOU-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.87
Rot. Bonds3

About 3-anilinobutan-2-ol

3-anilinobutan-2-ol (PubChem CID 13494330) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 3-anilinobutan-2-ol.

Molecular Properties

Compound Name3-anilinobutan-2-ol
PubChem CID13494330
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name3-anilinobutan-2-ol
SMILESCC(O)C(C)Nc1ccccc1
InChIInChI=1S/C10H15NO/c1-8(9(2)12)11-10-6-4-3-5-7-10/h3-9,11-12H,1-2H3
InChIKeyXTYMSXNQWSWSOU-UHFFFAOYSA-N
XLogP1.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-anilinoethanol;hydrate
CID 173450384
(1S,2S)-1-anilino-1-phenylpropan-2-ol
CID 166445226
2-(3-hydroxybutan-2-ylamino)benzoic acid
CID 131071288
N-[(2R,3R)-3-methylheptan-2-yl]aniline
CID 10646032
1-N-methyl-1-N'-phenylethane-1,1-diamine
CID 88759522
2-anilinopropanoic acid;hydrochloride
CID 19096756
boric acid;N-(4,4-diethyl-3-methylhexan-2-yl)aniline
CID 175216022
3-anilino-2-phenylbutanal
CID 155933998
(2R)-2-anilinopropanoate
CID 6946450
2-anilinopropanoate
CID 19754798
(2S)-2-anilinopropanethioic S-acid
CID 87999378
1-anilinoethanolate;zirconium(3+);dichloride
CID 174375257

Frequently Asked Questions

What is the IUPAC name of 3-anilinobutan-2-ol?
The IUPAC name of 3-anilinobutan-2-ol (CID 13494330) is 3-anilinobutan-2-ol.
What is the SMILES notation for 3-anilinobutan-2-ol?
The canonical SMILES for 3-anilinobutan-2-ol is CC(O)C(C)Nc1ccccc1.
What is the InChIKey of 3-anilinobutan-2-ol?
The InChIKey is XTYMSXNQWSWSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-8(9(2)12)11-10-6-4-3-5-7-10/h3-9,11-12H,1-2H3.
What are the key properties of 3-anilinobutan-2-ol?
3-anilinobutan-2-ol has a molecular weight of 165.24 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilinobutan-2-ol is sourced from PubChem (CID 13494330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).