1-chloro-N,N-dimethyl-1-(1-methylindol-3-yl)methanamine

C12H15ClN2 — CID 116915219

IUPAC1-chloro-N,N-dimethyl-1-(1-methylindol-3-yl)methanamine
SMILESCN(C)C(Cl)c1cn(C)c2ccccc12
InChIInChI=1S/C12H15ClN2/c1-14(2)12(13)10-8-15(3)11-7-5-4-6-9(10)11/h4-8,12H,1-3H3
InChIKeyROTXTWKNWFJEIX-UHFFFAOYSA-N
MW222.72 g/mol
LogP2.98
Rot. Bonds2

About 1-chloro-N,N-dimethyl-1-(1-methylindol-3-yl)methanamine

1-chloro-N,N-dimethyl-1-(1-methylindol-3-yl)methanamine (PubChem CID 116915219) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 1-chloro-N,N-dimethyl-1-(1-methylindol-3-yl)methanamine.

Molecular Properties

Compound Name1-chloro-N,N-dimethyl-1-(1-methylindol-3-yl)methanamine
PubChem CID116915219
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name1-chloro-N,N-dimethyl-1-(1-methylindol-3-yl)methanamine
SMILESCN(C)C(Cl)c1cn(C)c2ccccc12
InChIInChI=1S/C12H15ClN2/c1-14(2)12(13)10-8-15(3)11-7-5-4-6-9(10)11/h4-8,12H,1-3H3
InChIKeyROTXTWKNWFJEIX-UHFFFAOYSA-N
XLogP2.98
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

3-(1-chloroethyl)-1-methylindole
CID 174876256
2-chloro-N,N-dimethyl-1-(1-methylindol-3-yl)ethanamine
CID 116907436
1-methyl-3-propan-2-ylindole
CID 10942942
2-(dimethylamino)-2-(1-methylindol-3-yl)ethanethiol
CID 116908811
3-(1-bromoethyl)-1-methylindole
CID 174852068
1-N,1-N,2-N,2-tetramethyl-1-(1-methylindol-3-yl)propane-1,2-diamine
CID 116908531
(2R)-N,N-dimethyl-2-(1-methylindol-3-yl)-2-phosphanylacetamide
CID 155048137
2-amino-3-(dimethylamino)-3-(1-methylindol-3-yl)propanoic acid
CID 116911472
N,N-dimethyl-4-[(1-methylindol-3-yl)-phenylmethyl]aniline
CID 86230420
1-methyl-3-(4-methylpentan-2-yl)indole
CID 129132134
1-methyl-3-[(1-methylindol-3-yl)-(2-methylphenyl)methyl]indole
CID 177441153
(1R)-2-amino-1-(1-methylindol-3-yl)ethanol
CID 39238214

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N,N-dimethyl-1-(1-methylindol-3-yl)methanamine?
The IUPAC name of 1-chloro-N,N-dimethyl-1-(1-methylindol-3-yl)methanamine (CID 116915219) is 1-chloro-N,N-dimethyl-1-(1-methylindol-3-yl)methanamine.
What is the SMILES notation for 1-chloro-N,N-dimethyl-1-(1-methylindol-3-yl)methanamine?
The canonical SMILES for 1-chloro-N,N-dimethyl-1-(1-methylindol-3-yl)methanamine is CN(C)C(Cl)c1cn(C)c2ccccc12.
What is the InChIKey of 1-chloro-N,N-dimethyl-1-(1-methylindol-3-yl)methanamine?
The InChIKey is ROTXTWKNWFJEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2/c1-14(2)12(13)10-8-15(3)11-7-5-4-6-9(10)11/h4-8,12H,1-3H3.
What are the key properties of 1-chloro-N,N-dimethyl-1-(1-methylindol-3-yl)methanamine?
1-chloro-N,N-dimethyl-1-(1-methylindol-3-yl)methanamine has a molecular weight of 222.72 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N,N-dimethyl-1-(1-methylindol-3-yl)methanamine is sourced from PubChem (CID 116915219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).