1-chloro-3-[2-(cyclopropylamino)anilino]propan-2-ol

C12H17ClN2O — CID 168639689

IUPAC1-chloro-3-[2-(cyclopropylamino)anilino]propan-2-ol
SMILESOC(CCl)CNc1ccccc1NC1CC1
InChIInChI=1S/C12H17ClN2O/c13-7-10(16)8-14-11-3-1-2-4-12(11)15-9-5-6-9/h1-4,9-10,14-16H,5-8H2
InChIKeyGZDOWSDFLXFGTM-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.27
Rot. Bonds6

About 1-chloro-3-[2-(cyclopropylamino)anilino]propan-2-ol

1-chloro-3-[2-(cyclopropylamino)anilino]propan-2-ol (PubChem CID 168639689) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 1-chloro-3-[2-(cyclopropylamino)anilino]propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-[2-(cyclopropylamino)anilino]propan-2-ol
PubChem CID168639689
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name1-chloro-3-[2-(cyclopropylamino)anilino]propan-2-ol
SMILESOC(CCl)CNc1ccccc1NC1CC1
InChIInChI=1S/C12H17ClN2O/c13-7-10(16)8-14-11-3-1-2-4-12(11)15-9-5-6-9/h1-4,9-10,14-16H,5-8H2
InChIKeyGZDOWSDFLXFGTM-UHFFFAOYSA-N
XLogP2.27
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_C(2)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[2-[(1-benzylpiperidin-4-yl)amino]anilino]-3-chloropropan-2-ol
CID 168639852
1-chloro-3-[2-(2-hydroxyethyl)anilino]propan-2-ol
CID 168636319
2-(chloromethyl)-N-cyclopropylaniline
CID 175153932
1-chloro-3-[2-(2-phenoxyethylamino)anilino]propan-2-ol
CID 168637327
1-anilino-3-chloropropan-2-ol
CID 3640254
2-[(3-chloro-2-hydroxypropyl)amino]-N-methylbenzamide
CID 168640662
1-[(3-chloro-2-hydroxypropyl)amino]anthracene-9,10-dione
CID 3142375
4-[(3-chloro-2-hydroxypropyl)amino]naphthalen-1-ol
CID 168636995
[2-[(3-chloro-2-hydroxypropyl)amino]phenyl]-(4-fluorophenyl)methanone
CID 168640641
3-(2-cyclohexyloxyanilino)propane-1,2-diol
CID 168596583
[2-[(3-chloro-2-hydroxypropyl)amino]phenyl]-(4-methylphenyl)methanone
CID 168640456
1-chloro-3-(2-phenylmethoxyanilino)propan-2-ol
CID 168636481

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[2-(cyclopropylamino)anilino]propan-2-ol?
The IUPAC name of 1-chloro-3-[2-(cyclopropylamino)anilino]propan-2-ol (CID 168639689) is 1-chloro-3-[2-(cyclopropylamino)anilino]propan-2-ol.
What is the SMILES notation for 1-chloro-3-[2-(cyclopropylamino)anilino]propan-2-ol?
The canonical SMILES for 1-chloro-3-[2-(cyclopropylamino)anilino]propan-2-ol is OC(CCl)CNc1ccccc1NC1CC1.
What is the InChIKey of 1-chloro-3-[2-(cyclopropylamino)anilino]propan-2-ol?
The InChIKey is GZDOWSDFLXFGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c13-7-10(16)8-14-11-3-1-2-4-12(11)15-9-5-6-9/h1-4,9-10,14-16H,5-8H2.
What are the key properties of 1-chloro-3-[2-(cyclopropylamino)anilino]propan-2-ol?
1-chloro-3-[2-(cyclopropylamino)anilino]propan-2-ol has a molecular weight of 240.73 g/mol, XLogP of 2.27, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[2-(cyclopropylamino)anilino]propan-2-ol is sourced from PubChem (CID 168639689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).