1-[1-(6-chloro-2-methyl-1H-indol-3-yl)cyclopropyl]-N-methylmethanamine

C14H17ClN2 — CID 84633361

IUPAC1-[1-(6-chloro-2-methyl-1H-indol-3-yl)cyclopropyl]-N-methylmethanamine
SMILESCNCC1(c2c(C)[nH]c3cc(Cl)ccc23)CC1
InChIInChI=1S/C14H17ClN2/c1-9-13(14(5-6-14)8-16-2)11-4-3-10(15)7-12(11)17-9/h3-4,7,16-17H,5-6,8H2,1-2H3
InChIKeyMXQANXCBJUXCNG-UHFFFAOYSA-N
MW248.76 g/mol
LogP3.38
Rot. Bonds3

About 1-[1-(6-chloro-2-methyl-1H-indol-3-yl)cyclopropyl]-N-methylmethanamine

1-[1-(6-chloro-2-methyl-1H-indol-3-yl)cyclopropyl]-N-methylmethanamine (PubChem CID 84633361) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is 1-[1-(6-chloro-2-methyl-1H-indol-3-yl)cyclopropyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(6-chloro-2-methyl-1H-indol-3-yl)cyclopropyl]-N-methylmethanamine
PubChem CID84633361
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC Name1-[1-(6-chloro-2-methyl-1H-indol-3-yl)cyclopropyl]-N-methylmethanamine
SMILESCNCC1(c2c(C)[nH]c3cc(Cl)ccc23)CC1
InChIInChI=1S/C14H17ClN2/c1-9-13(14(5-6-14)8-16-2)11-4-3-10(15)7-12(11)17-9/h3-4,7,16-17H,5-6,8H2,1-2H3
InChIKeyMXQANXCBJUXCNG-UHFFFAOYSA-N
XLogP3.38
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-(6-chloro-1,2-dimethylindol-3-yl)cyclopropyl]-N-methylmethanamine
CID 84639089
4-chloro-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]benzamide
CID 113085802
1-[1-(6-chloro-1-methylindol-3-yl)cyclopropyl]-N-methylmethanamine
CID 84633362
7-chloro-3-hydroxy-2-methyl-1H-quinolin-4-one
CID 70376894
2-(6-chloro-2-methyl-1H-indol-3-yl)ethanamine
CID 28806617
1-[5-(2,4-dichlorophenyl)spiro[2.3]hexan-5-yl]-N-methylmethanamine
CID 65008881
2-(6-chloro-2-methyl-1H-indol-3-yl)-N-ethylethanamine
CID 82496918
1-[5-(4-chlorophenyl)spiro[2.3]hexan-5-yl]-N-methylmethanamine
CID 65008340
1-[1-[(3-chlorophenyl)methyl]cyclopropyl]-N-methylmethanamine
CID 66024867
1-(6-chloro-2-methyl-1H-indol-3-yl)-2-(cyclopropylamino)ethanone
CID 82501190
6-chloro-N-cyclopropyl-2-methyl-1H-indole-3-carboxamide
CID 110847987
2-(6-chloro-2-methyl-1H-indol-3-yl)-3-methylbutan-1-amine
CID 82499289

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-chloro-2-methyl-1H-indol-3-yl)cyclopropyl]-N-methylmethanamine?
The IUPAC name of 1-[1-(6-chloro-2-methyl-1H-indol-3-yl)cyclopropyl]-N-methylmethanamine (CID 84633361) is 1-[1-(6-chloro-2-methyl-1H-indol-3-yl)cyclopropyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(6-chloro-2-methyl-1H-indol-3-yl)cyclopropyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(6-chloro-2-methyl-1H-indol-3-yl)cyclopropyl]-N-methylmethanamine is CNCC1(c2c(C)[nH]c3cc(Cl)ccc23)CC1.
What is the InChIKey of 1-[1-(6-chloro-2-methyl-1H-indol-3-yl)cyclopropyl]-N-methylmethanamine?
The InChIKey is MXQANXCBJUXCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2/c1-9-13(14(5-6-14)8-16-2)11-4-3-10(15)7-12(11)17-9/h3-4,7,16-17H,5-6,8H2,1-2H3.
What are the key properties of 1-[1-(6-chloro-2-methyl-1H-indol-3-yl)cyclopropyl]-N-methylmethanamine?
1-[1-(6-chloro-2-methyl-1H-indol-3-yl)cyclopropyl]-N-methylmethanamine has a molecular weight of 248.76 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-chloro-2-methyl-1H-indol-3-yl)cyclopropyl]-N-methylmethanamine is sourced from PubChem (CID 84633361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).