1-(4-chloro-2,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine

C12H15ClN2 — CID 83868286

IUPAC1-(4-chloro-2,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine
SMILESCNCc1c(C)[nH]c2c(C)ccc(Cl)c12
InChIInChI=1S/C12H15ClN2/c1-7-4-5-10(13)11-9(6-14-3)8(2)15-12(7)11/h4-5,14-15H,6H2,1-3H3
InChIKeyJIXUTEPPLVRZJL-UHFFFAOYSA-N
MW222.72 g/mol
LogP3.16
Rot. Bonds2

About 1-(4-chloro-2,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine

1-(4-chloro-2,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine (PubChem CID 83868286) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 1-(4-chloro-2,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-chloro-2,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine
PubChem CID83868286
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name1-(4-chloro-2,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine
SMILESCNCc1c(C)[nH]c2c(C)ccc(Cl)c12
InChIInChI=1S/C12H15ClN2/c1-7-4-5-10(13)11-9(6-14-3)8(2)15-12(7)11/h4-5,14-15H,6H2,1-3H3
InChIKeyJIXUTEPPLVRZJL-UHFFFAOYSA-N
XLogP3.16
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethylazanium
CID 6983621
1-(6-chloro-2,3-dimethylphenyl)-N-methylmethanamine
CID 84659371
1-(4-chloro-2,7-dimethyl-1H-indol-3-yl)-N-methylethanamine
CID 83868291
2-(5-chloro-2,8-dimethyl-4-oxo-1H-quinolin-3-yl)acetic acid
CID 82246809
4-chloro-2,7-dimethyl-1H-indole-3-sulfonyl chloride
CID 98770479
1-(4,7-dimethoxy-2-methyl-1H-indol-3-yl)-N-methylmethanamine
CID 82496369
N-[2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethyl]-2-methylfuran-3-carboxamide
CID 39854653
1-(4,7-dichloro-3-methyl-1H-indol-2-yl)-N-methylmethanamine
CID 83868253
N-[2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
CID 39854536
3-(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)-N-methylpropan-1-amine
CID 96678727
3-(chloromethyl)-4-fluoro-2,7-dimethyl-1H-indole
CID 130050200
N-ethyl-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanamine
CID 82495305

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-chloro-2,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine (CID 83868286) is 1-(4-chloro-2,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-chloro-2,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-chloro-2,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine is CNCc1c(C)[nH]c2c(C)ccc(Cl)c12.
What is the InChIKey of 1-(4-chloro-2,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine?
The InChIKey is JIXUTEPPLVRZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2/c1-7-4-5-10(13)11-9(6-14-3)8(2)15-12(7)11/h4-5,14-15H,6H2,1-3H3.
What are the key properties of 1-(4-chloro-2,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine?
1-(4-chloro-2,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine has a molecular weight of 222.72 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine is sourced from PubChem (CID 83868286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).