2-(6-chloro-1-methylindol-3-yl)-3-pyridin-2-ylpropan-1-amine

C17H18ClN3 — CID 83976850

IUPAC2-(6-chloro-1-methylindol-3-yl)-3-pyridin-2-ylpropan-1-amine
SMILESCn1cc(C(CN)Cc2ccccn2)c2ccc(Cl)cc21
InChIInChI=1S/C17H18ClN3/c1-21-11-16(15-6-5-13(18)9-17(15)21)12(10-19)8-14-4-2-3-7-20-14/h2-7,9,11-12H,8,10,19H2,1H3
InChIKeyGADATEREAXINIT-UHFFFAOYSA-N
MW299.81 g/mol
LogP3.51
Rot. Bonds4

About 2-(6-chloro-1-methylindol-3-yl)-3-pyridin-2-ylpropan-1-amine

2-(6-chloro-1-methylindol-3-yl)-3-pyridin-2-ylpropan-1-amine (PubChem CID 83976850) has the molecular formula C17H18ClN3 and a molecular weight of 299.81 g/mol. Its IUPAC name is 2-(6-chloro-1-methylindol-3-yl)-3-pyridin-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-(6-chloro-1-methylindol-3-yl)-3-pyridin-2-ylpropan-1-amine
PubChem CID83976850
Molecular FormulaC17H18ClN3
Molecular Weight299.81 g/mol
Exact Mass299.12
IUPAC Name2-(6-chloro-1-methylindol-3-yl)-3-pyridin-2-ylpropan-1-amine
SMILESCn1cc(C(CN)Cc2ccccn2)c2ccc(Cl)cc21
InChIInChI=1S/C17H18ClN3/c1-21-11-16(15-6-5-13(18)9-17(15)21)12(10-19)8-14-4-2-3-7-20-14/h2-7,9,11-12H,8,10,19H2,1H3
InChIKeyGADATEREAXINIT-UHFFFAOYSA-N
XLogP3.51
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-chloro-1-methylindol-3-yl)-3-(3-chlorophenyl)propan-1-amine
CID 83976836
(1R)-2-amino-1-(6-chloro-1-methylindol-3-yl)ethanol
CID 95433072
2-(6-chloro-1-methylindol-3-yl)propan-1-amine
CID 82494528
2-(2,4-difluorophenyl)-3-pyridin-2-ylpropan-1-amine
CID 83975191
(1R)-1-(6-chloro-1-methylindol-3-yl)ethanamine
CID 95433151
2-[5-[2-amino-1-(6-chloro-1-methylindol-3-yl)ethyl]-3-methylpyrazol-1-yl]ethanol
CID 83987645
2-(3,4-dimethylphenyl)-3-pyridin-2-ylpropan-1-amine
CID 83972764
2-(5-fluoro-2-methoxyphenyl)-3-pyridin-2-ylpropan-1-amine
CID 83974822
3-methoxy-2-(1-methylindol-3-yl)propan-1-amine
CID 116835610
2-(5-tert-butyl-2-ethoxyphenyl)-3-pyridin-2-ylpropan-1-amine
CID 83974993
1-(5-chloro-2-methoxyphenyl)-2-pyridin-2-ylethanamine
CID 43118845
2-[2-bromo-2-(2,4-dichlorophenyl)ethyl]pyridine
CID 66454612

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1-methylindol-3-yl)-3-pyridin-2-ylpropan-1-amine?
The IUPAC name of 2-(6-chloro-1-methylindol-3-yl)-3-pyridin-2-ylpropan-1-amine (CID 83976850) is 2-(6-chloro-1-methylindol-3-yl)-3-pyridin-2-ylpropan-1-amine.
What is the SMILES notation for 2-(6-chloro-1-methylindol-3-yl)-3-pyridin-2-ylpropan-1-amine?
The canonical SMILES for 2-(6-chloro-1-methylindol-3-yl)-3-pyridin-2-ylpropan-1-amine is Cn1cc(C(CN)Cc2ccccn2)c2ccc(Cl)cc21.
What is the InChIKey of 2-(6-chloro-1-methylindol-3-yl)-3-pyridin-2-ylpropan-1-amine?
The InChIKey is GADATEREAXINIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3/c1-21-11-16(15-6-5-13(18)9-17(15)21)12(10-19)8-14-4-2-3-7-20-14/h2-7,9,11-12H,8,10,19H2,1H3.
What are the key properties of 2-(6-chloro-1-methylindol-3-yl)-3-pyridin-2-ylpropan-1-amine?
2-(6-chloro-1-methylindol-3-yl)-3-pyridin-2-ylpropan-1-amine has a molecular weight of 299.81 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1-methylindol-3-yl)-3-pyridin-2-ylpropan-1-amine is sourced from PubChem (CID 83976850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).