2-(4-chloro-7-methoxy-1-methylindol-2-yl)propan-2-amine

C13H17ClN2O — CID 84634779

IUPAC2-(4-chloro-7-methoxy-1-methylindol-2-yl)propan-2-amine
SMILESCOc1ccc(Cl)c2cc(C(C)(C)N)n(C)c12
InChIInChI=1S/C13H17ClN2O/c1-13(2,15)11-7-8-9(14)5-6-10(17-4)12(8)16(11)3/h5-7H,15H2,1-4H3
InChIKeyQUXKXYCKQRYBPL-UHFFFAOYSA-N
MW252.75 g/mol
LogP3.03
Rot. Bonds2

About 2-(4-chloro-7-methoxy-1-methylindol-2-yl)propan-2-amine

2-(4-chloro-7-methoxy-1-methylindol-2-yl)propan-2-amine (PubChem CID 84634779) has the molecular formula C13H17ClN2O and a molecular weight of 252.75 g/mol. Its IUPAC name is 2-(4-chloro-7-methoxy-1-methylindol-2-yl)propan-2-amine.

Molecular Properties

Compound Name2-(4-chloro-7-methoxy-1-methylindol-2-yl)propan-2-amine
PubChem CID84634779
Molecular FormulaC13H17ClN2O
Molecular Weight252.75 g/mol
Exact Mass252.10
IUPAC Name2-(4-chloro-7-methoxy-1-methylindol-2-yl)propan-2-amine
SMILESCOc1ccc(Cl)c2cc(C(C)(C)N)n(C)c12
InChIInChI=1S/C13H17ClN2O/c1-13(2,15)11-7-8-9(14)5-6-10(17-4)12(8)16(11)3/h5-7H,15H2,1-4H3
InChIKeyQUXKXYCKQRYBPL-UHFFFAOYSA-N
XLogP3.03
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-7-methoxy-1-methylindol-2-yl)-N-methylethanamine
CID 84634780
[4-chloro-7-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
CID 58346965
2-(2-chloro-5-methoxy-4-methylphenyl)propan-2-amine
CID 84783245
1-chloro-4-methoxynaphthalene
CID 606038
3-(1-aminoethyl)-8-chloro-5-methoxy-1-methylquinolin-2-one
CID 84640265
2-(3-chloro-6-fluoro-2-methoxyphenyl)propan-2-amine
CID 117310322
2-(7-methoxy-1-methylbenzimidazol-2-yl)propan-2-amine
CID 84623361
6,7-dichloro-1,4,9,10-tetramethoxyanthracene
CID 139930251
3-(2-aminopropan-2-yl)-6-(5-chloro-2-methoxyphenyl)-1-methylpyridin-2-one
CID 82517234
2-(4-chloro-1-propan-2-ylindol-2-yl)propan-2-amine
CID 117120452
2-(5-chloro-2-methoxyphenyl)sulfonylpropan-2-amine
CID 117036237
(4,7-dichloro-1-methylindol-2-yl)methanamine
CID 83868356

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-7-methoxy-1-methylindol-2-yl)propan-2-amine?
The IUPAC name of 2-(4-chloro-7-methoxy-1-methylindol-2-yl)propan-2-amine (CID 84634779) is 2-(4-chloro-7-methoxy-1-methylindol-2-yl)propan-2-amine.
What is the SMILES notation for 2-(4-chloro-7-methoxy-1-methylindol-2-yl)propan-2-amine?
The canonical SMILES for 2-(4-chloro-7-methoxy-1-methylindol-2-yl)propan-2-amine is COc1ccc(Cl)c2cc(C(C)(C)N)n(C)c12.
What is the InChIKey of 2-(4-chloro-7-methoxy-1-methylindol-2-yl)propan-2-amine?
The InChIKey is QUXKXYCKQRYBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-13(2,15)11-7-8-9(14)5-6-10(17-4)12(8)16(11)3/h5-7H,15H2,1-4H3.
What are the key properties of 2-(4-chloro-7-methoxy-1-methylindol-2-yl)propan-2-amine?
2-(4-chloro-7-methoxy-1-methylindol-2-yl)propan-2-amine has a molecular weight of 252.75 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-7-methoxy-1-methylindol-2-yl)propan-2-amine is sourced from PubChem (CID 84634779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).