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

C12H19ClN2O — CID 115468697

IUPAC2-(2-amino-5-chloroanilino)-4-methylpentan-1-ol
SMILESCC(C)CC(CO)Nc1cc(Cl)ccc1N
InChIInChI=1S/C12H19ClN2O/c1-8(2)5-10(7-16)15-12-6-9(13)3-4-11(12)14/h3-4,6,8,10,15-16H,5,7,14H2,1-2H3
InChIKeyOUDRHQOXMBZIGA-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.74
Rot. Bonds5

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

2-(2-amino-5-chloroanilino)-4-methylpentan-1-ol (PubChem CID 115468697) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 2-(2-amino-5-chloroanilino)-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-(2-amino-5-chloroanilino)-4-methylpentan-1-ol
PubChem CID115468697
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name2-(2-amino-5-chloroanilino)-4-methylpentan-1-ol
SMILESCC(C)CC(CO)Nc1cc(Cl)ccc1N
InChIInChI=1S/C12H19ClN2O/c1-8(2)5-10(7-16)15-12-6-9(13)3-4-11(12)14/h3-4,6,8,10,15-16H,5,7,14H2,1-2H3
InChIKeyOUDRHQOXMBZIGA-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

2-(2-amino-4-chloro-5-fluoroanilino)-4-methylpentan-1-ol
CID 66077415
3-(2-amino-5-chloroanilino)butan-1-ol
CID 83176405
2-(2-amino-5-fluoro-4-iodoanilino)-4-methylpentan-1-ol
CID 66100480
1-(2-amino-5-chloroanilino)-4-methylpentan-2-ol
CID 107151018
2-(3-amino-4-methylanilino)-4-methylpentan-1-ol
CID 62911636
4-chloro-2-N-[1-(diethylamino)propan-2-yl]benzene-1,2-diamine
CID 113315727
4-chloro-N-(2,6-dimethylheptan-4-yl)-2-methylaniline
CID 28553794
2-(2-amino-4-chloro-5-fluoroanilino)propane-1,3-diol
CID 66077669
2-[(5-chloro-2-pyridinyl)amino]-4-methylpentan-1-ol
CID 61246447
3-(2-amino-5-chloroanilino)propan-1-ol
CID 20506299
N-(2,4-dichlorophenyl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide
CID 111798057
2-[(5-chloropyrimidin-2-yl)amino]-4-methylpentan-1-ol
CID 79557211

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-chloroanilino)-4-methylpentan-1-ol?
The IUPAC name of 2-(2-amino-5-chloroanilino)-4-methylpentan-1-ol (CID 115468697) is 2-(2-amino-5-chloroanilino)-4-methylpentan-1-ol.
What is the SMILES notation for 2-(2-amino-5-chloroanilino)-4-methylpentan-1-ol?
The canonical SMILES for 2-(2-amino-5-chloroanilino)-4-methylpentan-1-ol is CC(C)CC(CO)Nc1cc(Cl)ccc1N.
What is the InChIKey of 2-(2-amino-5-chloroanilino)-4-methylpentan-1-ol?
The InChIKey is OUDRHQOXMBZIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-8(2)5-10(7-16)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 2-(2-amino-5-chloroanilino)-4-methylpentan-1-ol?
2-(2-amino-5-chloroanilino)-4-methylpentan-1-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 2-(2-amino-5-chloroanilino)-4-methylpentan-1-ol is sourced from PubChem (CID 115468697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).