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

C13H17ClN2 — CID 83868291

IUPAC1-(4-chloro-2,7-dimethyl-1H-indol-3-yl)-N-methylethanamine
SMILESCNC(C)c1c(C)[nH]c2c(C)ccc(Cl)c12
InChIInChI=1S/C13H17ClN2/c1-7-5-6-10(14)12-11(8(2)15-4)9(3)16-13(7)12/h5-6,8,15-16H,1-4H3
InChIKeyBEMJGJNYENNAMF-UHFFFAOYSA-N
MW236.75 g/mol
LogP3.72
Rot. Bonds2

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

1-(4-chloro-2,7-dimethyl-1H-indol-3-yl)-N-methylethanamine (PubChem CID 83868291) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is 1-(4-chloro-2,7-dimethyl-1H-indol-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-chloro-2,7-dimethyl-1H-indol-3-yl)-N-methylethanamine
PubChem CID83868291
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Name1-(4-chloro-2,7-dimethyl-1H-indol-3-yl)-N-methylethanamine
SMILESCNC(C)c1c(C)[nH]c2c(C)ccc(Cl)c12
InChIInChI=1S/C13H17ClN2/c1-7-5-6-10(14)12-11(8(2)15-4)9(3)16-13(7)12/h5-6,8,15-16H,1-4H3
InChIKeyBEMJGJNYENNAMF-UHFFFAOYSA-N
XLogP3.72
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4,7-dichloro-2-methyl-1H-indol-3-yl)ethanamine
CID 83868295
1-(4-chloro-2,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine
CID 83868286
2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethylazanium
CID 6983621
4-chloro-2,7-dimethyl-1H-indole-3-sulfonyl chloride
CID 98770479
5-chloro-2-ethyl-3,8-dimethyl-1H-quinolin-4-one
CID 63561110
1-(7-methoxy-2-methyl-1H-indol-3-yl)-N-methylethanamine
CID 65333048
N-(4-chloro-7-methyl-1H-indazol-3-yl)thiohydroxylamine
CID 146178445
5-chloro-8-methyl-1H-quinazoline-2,4-dione
CID 114588951
1-[4-(3-chloro-4-methylphenyl)phenyl]-N-methylethanamine
CID 115504108
2-(5-chloro-2,8-dimethyl-4-oxo-1H-quinolin-3-yl)acetic acid
CID 82246809
7,8-dichloro-2-methyl-3-propan-2-yl-1H-quinolin-4-one
CID 62914964
1-(6-chloro-7-methyl-1H-indol-2-yl)-N-methylethanamine
CID 83868171

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,7-dimethyl-1H-indol-3-yl)-N-methylethanamine?
The IUPAC name of 1-(4-chloro-2,7-dimethyl-1H-indol-3-yl)-N-methylethanamine (CID 83868291) is 1-(4-chloro-2,7-dimethyl-1H-indol-3-yl)-N-methylethanamine.
What is the SMILES notation for 1-(4-chloro-2,7-dimethyl-1H-indol-3-yl)-N-methylethanamine?
The canonical SMILES for 1-(4-chloro-2,7-dimethyl-1H-indol-3-yl)-N-methylethanamine is CNC(C)c1c(C)[nH]c2c(C)ccc(Cl)c12.
What is the InChIKey of 1-(4-chloro-2,7-dimethyl-1H-indol-3-yl)-N-methylethanamine?
The InChIKey is BEMJGJNYENNAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2/c1-7-5-6-10(14)12-11(8(2)15-4)9(3)16-13(7)12/h5-6,8,15-16H,1-4H3.
What are the key properties of 1-(4-chloro-2,7-dimethyl-1H-indol-3-yl)-N-methylethanamine?
1-(4-chloro-2,7-dimethyl-1H-indol-3-yl)-N-methylethanamine has a molecular weight of 236.75 g/mol, XLogP of 3.72, 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-methylethanamine is sourced from PubChem (CID 83868291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).