3-(2-amino-5-chloroanilino)butan-1-ol

C10H15ClN2O — CID 83176405

IUPAC3-(2-amino-5-chloroanilino)butan-1-ol
SMILESCC(CCO)Nc1cc(Cl)ccc1N
InChIInChI=1S/C10H15ClN2O/c1-7(4-5-14)13-10-6-8(11)2-3-9(10)12/h2-3,6-7,13-14H,4-5,12H2,1H3
InChIKeyKUWPPYHGNRRMNM-UHFFFAOYSA-N
MW214.70 g/mol
LogP2.11
Rot. Bonds4

About 3-(2-amino-5-chloroanilino)butan-1-ol

3-(2-amino-5-chloroanilino)butan-1-ol (PubChem CID 83176405) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 3-(2-amino-5-chloroanilino)butan-1-ol.

Molecular Properties

Compound Name3-(2-amino-5-chloroanilino)butan-1-ol
PubChem CID83176405
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name3-(2-amino-5-chloroanilino)butan-1-ol
SMILESCC(CCO)Nc1cc(Cl)ccc1N
InChIInChI=1S/C10H15ClN2O/c1-7(4-5-14)13-10-6-8(11)2-3-9(10)12/h2-3,6-7,13-14H,4-5,12H2,1H3
InChIKeyKUWPPYHGNRRMNM-UHFFFAOYSA-N
XLogP2.11
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 52.11
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-5-chloroanilino)-4-methylpentan-1-ol
CID 115468697
4-chloro-2-N-[1-(diethylamino)propan-2-yl]benzene-1,2-diamine
CID 113315727
5-chloro-2-(4-hydroxybutan-2-ylamino)benzoic acid
CID 83176856
3-(2-amino-4-iodoanilino)butan-1-ol
CID 83177225
4-(4-chloro-2-methylanilino)pentan-1-ol
CID 115976044
3-(2-amino-5-chloroanilino)propan-1-ol
CID 20506299
N-(2-amino-5-chlorophenyl)-2-[bis(2-hydroxyethyl)amino]propanamide
CID 61244276
4-amino-3-(5-hydroxypentan-2-ylamino)benzenesulfonamide
CID 82898873
3-amino-4-(4-hydroxybutan-2-ylamino)benzonitrile
CID 83177951
3-(2-amino-4-chloroanilino)-4,4-dimethylpentan-1-ol
CID 106348362
4-chloro-2-N-(2,3-dimethylbutyl)benzene-1,2-diamine
CID 115469039
N-(2-amino-5-chlorophenyl)-2-methylpentanamide
CID 43209694

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-5-chloroanilino)butan-1-ol?
The IUPAC name of 3-(2-amino-5-chloroanilino)butan-1-ol (CID 83176405) is 3-(2-amino-5-chloroanilino)butan-1-ol.
What is the SMILES notation for 3-(2-amino-5-chloroanilino)butan-1-ol?
The canonical SMILES for 3-(2-amino-5-chloroanilino)butan-1-ol is CC(CCO)Nc1cc(Cl)ccc1N.
What is the InChIKey of 3-(2-amino-5-chloroanilino)butan-1-ol?
The InChIKey is KUWPPYHGNRRMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-7(4-5-14)13-10-6-8(11)2-3-9(10)12/h2-3,6-7,13-14H,4-5,12H2,1H3.
What are the key properties of 3-(2-amino-5-chloroanilino)butan-1-ol?
3-(2-amino-5-chloroanilino)butan-1-ol has a molecular weight of 214.70 g/mol, XLogP of 2.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-5-chloroanilino)butan-1-ol is sourced from PubChem (CID 83176405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).