2-(4-chloroanilino)-2-methylpentan-1-ol

C12H18ClNO — CID 61047723

IUPAC2-(4-chloroanilino)-2-methylpentan-1-ol
SMILESCCCC(C)(CO)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H18ClNO/c1-3-8-12(2,9-15)14-11-6-4-10(13)5-7-11/h4-7,14-15H,3,8-9H2,1-2H3
InChIKeyVVEKUBBJEPUQQR-UHFFFAOYSA-N
MW227.74 g/mol
LogP3.30
Rot. Bonds5

About 2-(4-chloroanilino)-2-methylpentan-1-ol

2-(4-chloroanilino)-2-methylpentan-1-ol (PubChem CID 61047723) has the molecular formula C12H18ClNO and a molecular weight of 227.74 g/mol. Its IUPAC name is 2-(4-chloroanilino)-2-methylpentan-1-ol.

Molecular Properties

Compound Name2-(4-chloroanilino)-2-methylpentan-1-ol
PubChem CID61047723
Molecular FormulaC12H18ClNO
Molecular Weight227.74 g/mol
Exact Mass227.11
IUPAC Name2-(4-chloroanilino)-2-methylpentan-1-ol
SMILESCCCC(C)(CO)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H18ClNO/c1-3-8-12(2,9-15)14-11-6-4-10(13)5-7-11/h4-7,14-15H,3,8-9H2,1-2H3
InChIKeyVVEKUBBJEPUQQR-UHFFFAOYSA-N
XLogP3.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-anilino-2-methylpentan-1-ol
CID 61046243
2-(4-chloroanilino)-2-propylpentan-1-ol
CID 61049895
2-(3-bromoanilino)-2-methylpentan-1-ol
CID 61047859
2-(4-fluoroanilino)-2-methylbutan-1-ol
CID 61050548
ethyl 2-(4-chloroanilino)-2-methylpentanoate
CID 54890839
2-(4-chlorophenyl)pentan-2-ol
CID 23555553
methyl 2-(4-chloroanilino)-2-ethylpentanoate
CID 114079648
2-[(4-chloroanilino)methyl]-2-ethylbutan-1-ol
CID 81410986
4-(aminomethyl)-N-(3-methylhexan-3-yl)aniline
CID 174182706
2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-methylpentan-1-ol
CID 115920469
2-(4-chloroanilino)-2-(3,4-dimethylphenyl)propan-1-ol
CID 61049896
1-(6-chloro-3-pyridinyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea
CID 111630107

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-2-methylpentan-1-ol?
The IUPAC name of 2-(4-chloroanilino)-2-methylpentan-1-ol (CID 61047723) is 2-(4-chloroanilino)-2-methylpentan-1-ol.
What is the SMILES notation for 2-(4-chloroanilino)-2-methylpentan-1-ol?
The canonical SMILES for 2-(4-chloroanilino)-2-methylpentan-1-ol is CCCC(C)(CO)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chloroanilino)-2-methylpentan-1-ol?
The InChIKey is VVEKUBBJEPUQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-3-8-12(2,9-15)14-11-6-4-10(13)5-7-11/h4-7,14-15H,3,8-9H2,1-2H3.
What are the key properties of 2-(4-chloroanilino)-2-methylpentan-1-ol?
2-(4-chloroanilino)-2-methylpentan-1-ol has a molecular weight of 227.74 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-2-methylpentan-1-ol is sourced from PubChem (CID 61047723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).