1-chloro-3-[(2,3-dimethyl-1H-indol-5-yl)amino]propan-2-ol

C13H17ClN2O — CID 168638013

IUPAC1-chloro-3-[(2,3-dimethyl-1H-indol-5-yl)amino]propan-2-ol
SMILESCc1[nH]c2ccc(NCC(O)CCl)cc2c1C
InChIInChI=1S/C13H17ClN2O/c1-8-9(2)16-13-4-3-10(5-12(8)13)15-7-11(17)6-14/h3-5,11,15-17H,6-7H2,1-2H3
InChIKeyWZNZNOPVESZUOY-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.80
Rot. Bonds4

About 1-chloro-3-[(2,3-dimethyl-1H-indol-5-yl)amino]propan-2-ol

1-chloro-3-[(2,3-dimethyl-1H-indol-5-yl)amino]propan-2-ol (PubChem CID 168638013) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 1-chloro-3-[(2,3-dimethyl-1H-indol-5-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-[(2,3-dimethyl-1H-indol-5-yl)amino]propan-2-ol
PubChem CID168638013
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name1-chloro-3-[(2,3-dimethyl-1H-indol-5-yl)amino]propan-2-ol
SMILESCc1[nH]c2ccc(NCC(O)CCl)cc2c1C
InChIInChI=1S/C13H17ClN2O/c1-8-9(2)16-13-4-3-10(5-12(8)13)15-7-11(17)6-14/h3-5,11,15-17H,6-7H2,1-2H3
InChIKeyWZNZNOPVESZUOY-UHFFFAOYSA-N
XLogP2.80
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-[(3-chloro-2-hydroxypropyl)amino]-2-methyl-1H-quinolin-4-one
CID 168640525
1-chloro-3-[[2-(2-methylpropyl)-3H-benzimidazol-5-yl]amino]propan-2-ol
CID 168639641
1-chloro-3-[3-(4,5-dimethyl-1H-imidazol-2-yl)anilino]propan-2-ol
CID 168639667
1-chloro-3-(3-methylsulfanylanilino)propan-2-ol
CID 168600816
1-chloro-3-(4-fluoro-3-methoxyanilino)propan-2-ol
CID 168636388
N-(2,3-dimethyl-1H-indol-5-yl)pyridine-2-carboxamide
CID 140508282
1-chloro-3-[(1-methylbenzotriazol-5-yl)amino]propan-2-ol
CID 168637550
1-chloro-3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]anilino]propan-2-ol
CID 168636994
1-(4-bromo-3-fluoroanilino)-3-chloropropan-2-ol
CID 118665853
1-chloro-3-(3-propan-2-ylanilino)propan-2-ol
CID 168640793
1-anilino-3-chloropropan-2-ol
CID 3640254
1-chloro-3-(3-iodoanilino)propan-2-ol
CID 168641034

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[(2,3-dimethyl-1H-indol-5-yl)amino]propan-2-ol?
The IUPAC name of 1-chloro-3-[(2,3-dimethyl-1H-indol-5-yl)amino]propan-2-ol (CID 168638013) is 1-chloro-3-[(2,3-dimethyl-1H-indol-5-yl)amino]propan-2-ol.
What is the SMILES notation for 1-chloro-3-[(2,3-dimethyl-1H-indol-5-yl)amino]propan-2-ol?
The canonical SMILES for 1-chloro-3-[(2,3-dimethyl-1H-indol-5-yl)amino]propan-2-ol is Cc1[nH]c2ccc(NCC(O)CCl)cc2c1C.
What is the InChIKey of 1-chloro-3-[(2,3-dimethyl-1H-indol-5-yl)amino]propan-2-ol?
The InChIKey is WZNZNOPVESZUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-8-9(2)16-13-4-3-10(5-12(8)13)15-7-11(17)6-14/h3-5,11,15-17H,6-7H2,1-2H3.
What are the key properties of 1-chloro-3-[(2,3-dimethyl-1H-indol-5-yl)amino]propan-2-ol?
1-chloro-3-[(2,3-dimethyl-1H-indol-5-yl)amino]propan-2-ol has a molecular weight of 252.74 g/mol, XLogP of 2.80, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[(2,3-dimethyl-1H-indol-5-yl)amino]propan-2-ol is sourced from PubChem (CID 168638013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).