1-(2-amino-5-chloroanilino)-4-methylpentan-2-ol

C12H19ClN2O — CID 107151018

IUPAC1-(2-amino-5-chloroanilino)-4-methylpentan-2-ol
SMILESCC(C)CC(O)CNc1cc(Cl)ccc1N
InChIInChI=1S/C12H19ClN2O/c1-8(2)5-10(16)7-15-12-6-9(13)3-4-11(12)14/h3-4,6,8,10,15-16H,5,7,14H2,1-2H3
InChIKeyQWWOOERKUXCUBC-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.74
Rot. Bonds5

About 1-(2-amino-5-chloroanilino)-4-methylpentan-2-ol

1-(2-amino-5-chloroanilino)-4-methylpentan-2-ol (PubChem CID 107151018) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 1-(2-amino-5-chloroanilino)-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-(2-amino-5-chloroanilino)-4-methylpentan-2-ol
PubChem CID107151018
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name1-(2-amino-5-chloroanilino)-4-methylpentan-2-ol
SMILESCC(C)CC(O)CNc1cc(Cl)ccc1N
InChIInChI=1S/C12H19ClN2O/c1-8(2)5-10(16)7-15-12-6-9(13)3-4-11(12)14/h3-4,6,8,10,15-16H,5,7,14H2,1-2H3
InChIKeyQWWOOERKUXCUBC-UHFFFAOYSA-N
XLogP2.74
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-[(2-hydroxy-4-methylpentyl)amino]benzonitrile
CID 113238789
4-chloro-2-N-(2,3-dimethylbutyl)benzene-1,2-diamine
CID 115469039
2-amino-5-chloro-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide
CID 107150851
2-amino-4-chloro-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide
CID 107150822
4-chloro-2-N-(2,2-difluoroethyl)benzene-1,2-diamine
CID 115469180
2-(2-amino-5-chloroanilino)-4-methylpentan-1-ol
CID 115468697
1-(5-chloro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 60904275
1-[2-amino-4-(difluoromethyl)anilino]-4-methylpentan-2-ol
CID 112737551
1-(2-amino-4-chloroanilino)propan-2-ol
CID 15932693
1-(2-amino-4-nitroanilino)-4-methylpentan-2-ol
CID 107151044
5-amino-2-fluoro-4-[(2-hydroxy-4-methylpentyl)amino]benzoic acid
CID 107151142
3-(2-amino-4-chloroanilino)propane-1,2-diol
CID 66176123

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-chloroanilino)-4-methylpentan-2-ol?
The IUPAC name of 1-(2-amino-5-chloroanilino)-4-methylpentan-2-ol (CID 107151018) is 1-(2-amino-5-chloroanilino)-4-methylpentan-2-ol.
What is the SMILES notation for 1-(2-amino-5-chloroanilino)-4-methylpentan-2-ol?
The canonical SMILES for 1-(2-amino-5-chloroanilino)-4-methylpentan-2-ol is CC(C)CC(O)CNc1cc(Cl)ccc1N.
What is the InChIKey of 1-(2-amino-5-chloroanilino)-4-methylpentan-2-ol?
The InChIKey is QWWOOERKUXCUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-8(2)5-10(16)7-15-12-6-9(13)3-4-11(12)14/h3-4,6,8,10,15-16H,5,7,14H2,1-2H3.
What are the key properties of 1-(2-amino-5-chloroanilino)-4-methylpentan-2-ol?
1-(2-amino-5-chloroanilino)-4-methylpentan-2-ol has a molecular weight of 242.75 g/mol, XLogP of 2.74, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-chloroanilino)-4-methylpentan-2-ol is sourced from PubChem (CID 107151018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).