2-amino-1-(6-chloro-1-methylindol-3-yl)-3-hydroxypropan-1-one

C12H13ClN2O2 — CID 162765497

IUPAC2-amino-1-(6-chloro-1-methylindol-3-yl)-3-hydroxypropan-1-one
SMILESCn1cc(C(=O)C(N)CO)c2ccc(Cl)cc21
InChIInChI=1S/C12H13ClN2O2/c1-15-5-9(12(17)10(14)6-16)8-3-2-7(13)4-11(8)15/h2-5,10,16H,6,14H2,1H3
InChIKeyDEXXANXZOGCCCZ-UHFFFAOYSA-N
MW252.70 g/mol
LogP1.33
Rot. Bonds3

About 2-amino-1-(6-chloro-1-methylindol-3-yl)-3-hydroxypropan-1-one

2-amino-1-(6-chloro-1-methylindol-3-yl)-3-hydroxypropan-1-one (PubChem CID 162765497) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 2-amino-1-(6-chloro-1-methylindol-3-yl)-3-hydroxypropan-1-one.

Molecular Properties

Compound Name2-amino-1-(6-chloro-1-methylindol-3-yl)-3-hydroxypropan-1-one
PubChem CID162765497
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name2-amino-1-(6-chloro-1-methylindol-3-yl)-3-hydroxypropan-1-one
SMILESCn1cc(C(=O)C(N)CO)c2ccc(Cl)cc21
InChIInChI=1S/C12H13ClN2O2/c1-15-5-9(12(17)10(14)6-16)8-3-2-7(13)4-11(8)15/h2-5,10,16H,6,14H2,1H3
InChIKeyDEXXANXZOGCCCZ-UHFFFAOYSA-N
XLogP1.33
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(6-chloro-1-methylindol-3-yl)-(2-ethylphenyl)methanone
CID 116651047
(1R)-1-(6-chloro-1-methylindol-3-yl)ethanamine
CID 95433151
1-(6-chloro-1-methylindol-3-yl)-3,4,4-trimethylpentan-1-one
CID 116650978
ethyl 2-(6-chloro-1-methylindol-3-yl)-2-hydroxyacetate
CID 11708776
(6-chloro-1-methylindol-3-yl)-(3,5-dimethylphenyl)methanone
CID 116650948
(6-chloro-1-methylindol-3-yl)-(2,6-dichlorophenyl)methanone
CID 116651038
(1R)-2-amino-1-(6-chloro-1-methylindol-3-yl)ethanol
CID 95433072
(6-chloro-1-methylindol-3-yl)-cycloheptylmethanone
CID 116651040
(6-chloro-1-methylindol-3-yl)-(3-chloro-5-methylphenyl)methanone
CID 116651068
1-(6-chloro-1-methylindol-3-yl)-2-(3-methylphenyl)ethanone
CID 116651006
2-(3-bromophenyl)-1-(6-chloro-1-methylindol-3-yl)ethanone
CID 116651087
2-(6-chloro-1-methylindol-3-yl)propan-1-amine
CID 82494528

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(6-chloro-1-methylindol-3-yl)-3-hydroxypropan-1-one?
The IUPAC name of 2-amino-1-(6-chloro-1-methylindol-3-yl)-3-hydroxypropan-1-one (CID 162765497) is 2-amino-1-(6-chloro-1-methylindol-3-yl)-3-hydroxypropan-1-one.
What is the SMILES notation for 2-amino-1-(6-chloro-1-methylindol-3-yl)-3-hydroxypropan-1-one?
The canonical SMILES for 2-amino-1-(6-chloro-1-methylindol-3-yl)-3-hydroxypropan-1-one is Cn1cc(C(=O)C(N)CO)c2ccc(Cl)cc21.
What is the InChIKey of 2-amino-1-(6-chloro-1-methylindol-3-yl)-3-hydroxypropan-1-one?
The InChIKey is DEXXANXZOGCCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-15-5-9(12(17)10(14)6-16)8-3-2-7(13)4-11(8)15/h2-5,10,16H,6,14H2,1H3.
What are the key properties of 2-amino-1-(6-chloro-1-methylindol-3-yl)-3-hydroxypropan-1-one?
2-amino-1-(6-chloro-1-methylindol-3-yl)-3-hydroxypropan-1-one has a molecular weight of 252.70 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(6-chloro-1-methylindol-3-yl)-3-hydroxypropan-1-one is sourced from PubChem (CID 162765497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).