4-(3-bromo-2-methylanilino)pentan-1-ol

C12H18BrNO — CID 115976130

IUPAC4-(3-bromo-2-methylanilino)pentan-1-ol
SMILESCc1c(Br)cccc1NC(C)CCCO
InChIInChI=1S/C12H18BrNO/c1-9(5-4-8-15)14-12-7-3-6-11(13)10(12)2/h3,6-7,9,14-15H,4-5,8H2,1-2H3
InChIKeyIWJNKILYMHYFJE-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.33
Rot. Bonds5

About 4-(3-bromo-2-methylanilino)pentan-1-ol

4-(3-bromo-2-methylanilino)pentan-1-ol (PubChem CID 115976130) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is 4-(3-bromo-2-methylanilino)pentan-1-ol.

Molecular Properties

Compound Name4-(3-bromo-2-methylanilino)pentan-1-ol
PubChem CID115976130
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name4-(3-bromo-2-methylanilino)pentan-1-ol
SMILESCc1c(Br)cccc1NC(C)CCCO
InChIInChI=1S/C12H18BrNO/c1-9(5-4-8-15)14-12-7-3-6-11(13)10(12)2/h3,6-7,9,14-15H,4-5,8H2,1-2H3
InChIKeyIWJNKILYMHYFJE-UHFFFAOYSA-N
XLogP3.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-fluoro-3-methylanilino)pentan-1-ol
CID 115976062
4-(2-fluoroanilino)pentan-1-ol
CID 115975993
ethyl 3-(3-bromo-2-methylanilino)butanoate
CID 107633896
(4R)-4-(3-methylanilino)pentan-1-ol
CID 94830689
5-[(3-bromo-2-methylphenyl)carbamoylamino]hexanoic acid
CID 107627437
4-(2,5-dimethylanilino)pentan-1-ol
CID 115976106
2-bromo-N-nonan-2-ylaniline
CID 43129843
3-bromo-4-(5-hydroxypentan-2-ylamino)benzoic acid
CID 82801637
2-(3-bromo-2-methylanilino)hexanoic acid
CID 107636470
N,3-dibromo-2-methylaniline
CID 155755469
2-(5-hydroxypentan-2-ylamino)-6-methylsulfanylbenzonitrile
CID 113385604
(4R)-4-[(2-bromophenyl)methylamino]pentan-1-ol
CID 97051682

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-2-methylanilino)pentan-1-ol?
The IUPAC name of 4-(3-bromo-2-methylanilino)pentan-1-ol (CID 115976130) is 4-(3-bromo-2-methylanilino)pentan-1-ol.
What is the SMILES notation for 4-(3-bromo-2-methylanilino)pentan-1-ol?
The canonical SMILES for 4-(3-bromo-2-methylanilino)pentan-1-ol is Cc1c(Br)cccc1NC(C)CCCO.
What is the InChIKey of 4-(3-bromo-2-methylanilino)pentan-1-ol?
The InChIKey is IWJNKILYMHYFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-9(5-4-8-15)14-12-7-3-6-11(13)10(12)2/h3,6-7,9,14-15H,4-5,8H2,1-2H3.
What are the key properties of 4-(3-bromo-2-methylanilino)pentan-1-ol?
4-(3-bromo-2-methylanilino)pentan-1-ol has a molecular weight of 272.19 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-2-methylanilino)pentan-1-ol is sourced from PubChem (CID 115976130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).