2-(7-chloro-1,2-dimethylindol-3-yl)propan-1-amine

C13H17ClN2 — CID 82496910

IUPAC2-(7-chloro-1,2-dimethylindol-3-yl)propan-1-amine
SMILESCc1c(C(C)CN)c2cccc(Cl)c2n1C
InChIInChI=1S/C13H17ClN2/c1-8(7-15)12-9(2)16(3)13-10(12)5-4-6-11(13)14/h4-6,8H,7,15H2,1-3H3
InChIKeyYFGYJYOAZFAOCJ-UHFFFAOYSA-N
MW236.75 g/mol
LogP3.20
Rot. Bonds2

About 2-(7-chloro-1,2-dimethylindol-3-yl)propan-1-amine

2-(7-chloro-1,2-dimethylindol-3-yl)propan-1-amine (PubChem CID 82496910) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is 2-(7-chloro-1,2-dimethylindol-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-(7-chloro-1,2-dimethylindol-3-yl)propan-1-amine
PubChem CID82496910
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Name2-(7-chloro-1,2-dimethylindol-3-yl)propan-1-amine
SMILESCc1c(C(C)CN)c2cccc(Cl)c2n1C
InChIInChI=1S/C13H17ClN2/c1-8(7-15)12-9(2)16(3)13-10(12)5-4-6-11(13)14/h4-6,8H,7,15H2,1-3H3
InChIKeyYFGYJYOAZFAOCJ-UHFFFAOYSA-N
XLogP3.20
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(7-ethyl-1,2-dimethylindol-3-yl)propan-1-amine
CID 82495320
2-(7-chloro-1,3-dimethylindol-2-yl)propan-1-amine
CID 83868342
2-(7-chloro-1-methylindol-2-yl)propan-1-amine
CID 83868392
3-methyl-2-(1,2,7-trimethylindol-3-yl)butan-1-amine
CID 82497735
2-amino-1-(7-fluoro-1,2-dimethylindol-3-yl)ethanol
CID 82494429
2-(5,7-dimethoxy-1,2-dimethylindol-3-yl)propan-1-amine
CID 82501140
2-(7-chloro-1,2-dimethylindol-3-yl)acetic acid
CID 82497008
2-(5-ethyl-1,2-dimethylindol-3-yl)propan-1-amine
CID 82495226
1-(7-ethyl-1,2-dimethylindol-3-yl)-N,N-dimethylethane-1,2-diamine
CID 82500433
3-(7-chloro-1-methylindol-2-yl)butan-1-amine
CID 83868398
3-(2,3-dichlorophenyl)-2-(1,2-dimethylindol-3-yl)propan-1-amine
CID 112539160
3-(2-aminoethyl)-8-chloro-1,4-dimethylquinolin-2-one
CID 84634094

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-1,2-dimethylindol-3-yl)propan-1-amine?
The IUPAC name of 2-(7-chloro-1,2-dimethylindol-3-yl)propan-1-amine (CID 82496910) is 2-(7-chloro-1,2-dimethylindol-3-yl)propan-1-amine.
What is the SMILES notation for 2-(7-chloro-1,2-dimethylindol-3-yl)propan-1-amine?
The canonical SMILES for 2-(7-chloro-1,2-dimethylindol-3-yl)propan-1-amine is Cc1c(C(C)CN)c2cccc(Cl)c2n1C.
What is the InChIKey of 2-(7-chloro-1,2-dimethylindol-3-yl)propan-1-amine?
The InChIKey is YFGYJYOAZFAOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2/c1-8(7-15)12-9(2)16(3)13-10(12)5-4-6-11(13)14/h4-6,8H,7,15H2,1-3H3.
What are the key properties of 2-(7-chloro-1,2-dimethylindol-3-yl)propan-1-amine?
2-(7-chloro-1,2-dimethylindol-3-yl)propan-1-amine has a molecular weight of 236.75 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-1,2-dimethylindol-3-yl)propan-1-amine is sourced from PubChem (CID 82496910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).