2-(6-chloro-1,3-dimethylindol-2-yl)propan-1-amine

C13H17ClN2 — CID 84628715

IUPAC2-(6-chloro-1,3-dimethylindol-2-yl)propan-1-amine
SMILESCc1c(C(C)CN)n(C)c2cc(Cl)ccc12
InChIInChI=1S/C13H17ClN2/c1-8(7-15)13-9(2)11-5-4-10(14)6-12(11)16(13)3/h4-6,8H,7,15H2,1-3H3
InChIKeyVIGDNIVVTYNQRP-UHFFFAOYSA-N
MW236.75 g/mol
LogP3.20
Rot. Bonds2

About 2-(6-chloro-1,3-dimethylindol-2-yl)propan-1-amine

2-(6-chloro-1,3-dimethylindol-2-yl)propan-1-amine (PubChem CID 84628715) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is 2-(6-chloro-1,3-dimethylindol-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-(6-chloro-1,3-dimethylindol-2-yl)propan-1-amine
PubChem CID84628715
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Name2-(6-chloro-1,3-dimethylindol-2-yl)propan-1-amine
SMILESCc1c(C(C)CN)n(C)c2cc(Cl)ccc12
InChIInChI=1S/C13H17ClN2/c1-8(7-15)13-9(2)11-5-4-10(14)6-12(11)16(13)3/h4-6,8H,7,15H2,1-3H3
InChIKeyVIGDNIVVTYNQRP-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

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Related Compounds

(6-chloro-1,3-dimethylindol-2-yl)methanamine
CID 84621214
2-(6-chloro-1-methylindol-3-yl)propan-1-amine
CID 82494528
2,6-dichloro-1,3-dimethylindole
CID 117127818
2-(7-chloro-1,3-dimethylindol-2-yl)propan-1-amine
CID 83868342
(6-chloro-1,2-dimethylindol-3-yl)methanamine
CID 82492537
7-chloro-1,4-dimethyl-3-propan-2-ylquinolin-2-one
CID 146630321
3-(6-chloro-2,3-dimethylindol-1-yl)propan-1-amine
CID 82496941
3-(6-chloro-1,2-dimethylindol-3-yl)-3-methylbutan-1-amine
CID 84639811
(1R)-2-amino-1-(6-chloro-1-methylindol-3-yl)ethanol
CID 95433072
(6-chloro-1-propan-2-ylindol-3-yl)methanamine
CID 117122224
7-chloro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde
CID 84628273
2-(6-chloro-1-ethylindol-2-yl)propan-1-amine
CID 117122802

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1,3-dimethylindol-2-yl)propan-1-amine?
The IUPAC name of 2-(6-chloro-1,3-dimethylindol-2-yl)propan-1-amine (CID 84628715) is 2-(6-chloro-1,3-dimethylindol-2-yl)propan-1-amine.
What is the SMILES notation for 2-(6-chloro-1,3-dimethylindol-2-yl)propan-1-amine?
The canonical SMILES for 2-(6-chloro-1,3-dimethylindol-2-yl)propan-1-amine is Cc1c(C(C)CN)n(C)c2cc(Cl)ccc12.
What is the InChIKey of 2-(6-chloro-1,3-dimethylindol-2-yl)propan-1-amine?
The InChIKey is VIGDNIVVTYNQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2/c1-8(7-15)13-9(2)11-5-4-10(14)6-12(11)16(13)3/h4-6,8H,7,15H2,1-3H3.
What are the key properties of 2-(6-chloro-1,3-dimethylindol-2-yl)propan-1-amine?
2-(6-chloro-1,3-dimethylindol-2-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-(6-chloro-1,3-dimethylindol-2-yl)propan-1-amine is sourced from PubChem (CID 84628715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).