2-anilino-2-methylpentan-1-ol

C12H19NO — CID 61046243

IUPAC2-anilino-2-methylpentan-1-ol
SMILESCCCC(C)(CO)Nc1ccccc1
InChIInChI=1S/C12H19NO/c1-3-9-12(2,10-14)13-11-7-5-4-6-8-11/h4-8,13-14H,3,9-10H2,1-2H3
InChIKeyROTZTIUKCDFOSU-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.65
Rot. Bonds5

About 2-anilino-2-methylpentan-1-ol

2-anilino-2-methylpentan-1-ol (PubChem CID 61046243) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-anilino-2-methylpentan-1-ol.

Molecular Properties

Compound Name2-anilino-2-methylpentan-1-ol
PubChem CID61046243
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-anilino-2-methylpentan-1-ol
SMILESCCCC(C)(CO)Nc1ccccc1
InChIInChI=1S/C12H19NO/c1-3-9-12(2,10-14)13-11-7-5-4-6-8-11/h4-8,13-14H,3,9-10H2,1-2H3
InChIKeyROTZTIUKCDFOSU-UHFFFAOYSA-N
XLogP2.65
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloroanilino)-2-methylpentan-1-ol
CID 61047723
2-methyl-2-N-phenylpentane-1,2-diamine
CID 65379502
2-(3-bromoanilino)-2-methylpentan-1-ol
CID 61047859
N-(4-methyldecan-4-yl)aniline
CID 166741267
2-anilino-2-methylpentanoic acid
CID 60992039
2-anilino-4-(4-methoxyphenyl)-2-methylbutan-1-ol
CID 61047503
2-anilino-2-ethylbutan-1-ol
CID 61046791
2-methyl-2-(3-methylanilino)-4-phenylbutan-1-ol
CID 61047781
2-(4-methoxyanilino)-2-methyl-4-phenylbutan-1-ol
CID 61045480
4-anilino-4-methylhexanoic acid
CID 70438970
2-(3-bromoanilino)-2-methylnonan-1-ol
CID 55198657
2-anilino-3-(2-methoxyphenyl)-2-methylpropan-1-ol
CID 61047342

Frequently Asked Questions

What is the IUPAC name of 2-anilino-2-methylpentan-1-ol?
The IUPAC name of 2-anilino-2-methylpentan-1-ol (CID 61046243) is 2-anilino-2-methylpentan-1-ol.
What is the SMILES notation for 2-anilino-2-methylpentan-1-ol?
The canonical SMILES for 2-anilino-2-methylpentan-1-ol is CCCC(C)(CO)Nc1ccccc1.
What is the InChIKey of 2-anilino-2-methylpentan-1-ol?
The InChIKey is ROTZTIUKCDFOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-9-12(2,10-14)13-11-7-5-4-6-8-11/h4-8,13-14H,3,9-10H2,1-2H3.
What are the key properties of 2-anilino-2-methylpentan-1-ol?
2-anilino-2-methylpentan-1-ol has a molecular weight of 193.29 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-2-methylpentan-1-ol is sourced from PubChem (CID 61046243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).