4-(4-chloro-2-methylanilino)pentan-1-ol

C12H18ClNO — CID 115976044

IUPAC4-(4-chloro-2-methylanilino)pentan-1-ol
SMILESCc1cc(Cl)ccc1NC(C)CCCO
InChIInChI=1S/C12H18ClNO/c1-9-8-11(13)5-6-12(9)14-10(2)4-3-7-15/h5-6,8,10,14-15H,3-4,7H2,1-2H3
InChIKeyFDUGZZJEZWINDA-UHFFFAOYSA-N
MW227.73 g/mol
LogP3.22
Rot. Bonds5

About 4-(4-chloro-2-methylanilino)pentan-1-ol

4-(4-chloro-2-methylanilino)pentan-1-ol (PubChem CID 115976044) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is 4-(4-chloro-2-methylanilino)pentan-1-ol.

Molecular Properties

Compound Name4-(4-chloro-2-methylanilino)pentan-1-ol
PubChem CID115976044
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name4-(4-chloro-2-methylanilino)pentan-1-ol
SMILESCc1cc(Cl)ccc1NC(C)CCCO
InChIInChI=1S/C12H18ClNO/c1-9-8-11(13)5-6-12(9)14-10(2)4-3-7-15/h5-6,8,10,14-15H,3-4,7H2,1-2H3
InChIKeyFDUGZZJEZWINDA-UHFFFAOYSA-N
XLogP3.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-methyl-N-(4-phenylbutan-2-yl)aniline
CID 43104795
4-(2-fluoro-5-methylanilino)pentan-1-ol
CID 115976054
4-(2,5-dimethylanilino)pentan-1-ol
CID 115976106
3-(4-chloro-2-methylanilino)butanethioamide
CID 82085018
4-(3-chloroanilino)pentan-1-ol
CID 115975852
4-chloro-N-(2,6-dimethylheptan-4-yl)-2-methylaniline
CID 28553794
4-(2-fluoro-3-methylanilino)pentan-1-ol
CID 115976062
3-(2-amino-5-chloroanilino)butan-1-ol
CID 83176405
5-chloro-2-(4-hydroxybutan-2-ylamino)benzoic acid
CID 83176856
4-(2-fluoroanilino)pentan-1-ol
CID 115975993
2,4-dichloro-N-nonan-2-ylaniline
CID 55199008
4-[2-fluoro-4-(trifluoromethyl)anilino]pentan-1-ol
CID 113254397

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methylanilino)pentan-1-ol?
The IUPAC name of 4-(4-chloro-2-methylanilino)pentan-1-ol (CID 115976044) is 4-(4-chloro-2-methylanilino)pentan-1-ol.
What is the SMILES notation for 4-(4-chloro-2-methylanilino)pentan-1-ol?
The canonical SMILES for 4-(4-chloro-2-methylanilino)pentan-1-ol is Cc1cc(Cl)ccc1NC(C)CCCO.
What is the InChIKey of 4-(4-chloro-2-methylanilino)pentan-1-ol?
The InChIKey is FDUGZZJEZWINDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-9-8-11(13)5-6-12(9)14-10(2)4-3-7-15/h5-6,8,10,14-15H,3-4,7H2,1-2H3.
What are the key properties of 4-(4-chloro-2-methylanilino)pentan-1-ol?
4-(4-chloro-2-methylanilino)pentan-1-ol has a molecular weight of 227.73 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methylanilino)pentan-1-ol is sourced from PubChem (CID 115976044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).