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

C9H13ClN2O — CID 20506299

IUPAC3-(2-amino-5-chloroanilino)propan-1-ol
SMILESNc1ccc(Cl)cc1NCCCO
InChIInChI=1S/C9H13ClN2O/c10-7-2-3-8(11)9(6-7)12-4-1-5-13/h2-3,6,12-13H,1,4-5,11H2
InChIKeyUNAOKEZLKCGJLP-UHFFFAOYSA-N
MW200.67 g/mol
LogP1.72
Rot. Bonds4

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

3-(2-amino-5-chloroanilino)propan-1-ol (PubChem CID 20506299) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 3-(2-amino-5-chloroanilino)propan-1-ol.

Molecular Properties

Compound Name3-(2-amino-5-chloroanilino)propan-1-ol
PubChem CID20506299
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name3-(2-amino-5-chloroanilino)propan-1-ol
SMILESNc1ccc(Cl)cc1NCCCO
InChIInChI=1S/C9H13ClN2O/c10-7-2-3-8(11)9(6-7)12-4-1-5-13/h2-3,6,12-13H,1,4-5,11H2
InChIKeyUNAOKEZLKCGJLP-UHFFFAOYSA-N
XLogP1.72
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-amino-5-chloroanilino)ethoxy]ethanol
CID 115468899
5-(2-amino-4-chloroanilino)pentan-1-ol
CID 107316433
4-chloro-2-N-[3-(diethylamino)propyl]benzene-1,2-diamine
CID 113315575
3-(2-bromo-4-chloroanilino)propan-1-ol
CID 80979319
4-(2-amino-5-fluoroanilino)butan-1-ol
CID 58656023
4-(2-amino-4,5-dichloroanilino)butan-1-ol
CID 101197853
4-chloro-2-N-(2-phenylethyl)benzene-1,2-diamine
CID 115468497
2-(2-amino-5-chloroanilino)ethyl thiocyanate
CID 130155435
4-chloro-2-N-(2,2-difluoroethyl)benzene-1,2-diamine
CID 115469180
4-amino-3-(6-hydroxyhexylamino)benzamide
CID 107843999
3-(2-amino-5-pyridin-3-ylanilino)propan-1-ol
CID 163261663
N-[4-chloro-2-(5-hydroxypentylamino)phenyl]acetamide
CID 111770376

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-5-chloroanilino)propan-1-ol?
The IUPAC name of 3-(2-amino-5-chloroanilino)propan-1-ol (CID 20506299) is 3-(2-amino-5-chloroanilino)propan-1-ol.
What is the SMILES notation for 3-(2-amino-5-chloroanilino)propan-1-ol?
The canonical SMILES for 3-(2-amino-5-chloroanilino)propan-1-ol is Nc1ccc(Cl)cc1NCCCO.
What is the InChIKey of 3-(2-amino-5-chloroanilino)propan-1-ol?
The InChIKey is UNAOKEZLKCGJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O/c10-7-2-3-8(11)9(6-7)12-4-1-5-13/h2-3,6,12-13H,1,4-5,11H2.
What are the key properties of 3-(2-amino-5-chloroanilino)propan-1-ol?
3-(2-amino-5-chloroanilino)propan-1-ol has a molecular weight of 200.67 g/mol, XLogP of 1.72, 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)propan-1-ol is sourced from PubChem (CID 20506299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).