2-(7-chloro-1-methylindol-3-yl)-N,2-dimethylpropan-1-amine

C14H19ClN2 — CID 84634147

IUPAC2-(7-chloro-1-methylindol-3-yl)-N,2-dimethylpropan-1-amine
SMILESCNCC(C)(C)c1cn(C)c2c(Cl)cccc12
InChIInChI=1S/C14H19ClN2/c1-14(2,9-16-3)11-8-17(4)13-10(11)6-5-7-12(13)15/h5-8,16H,9H2,1-4H3
InChIKeyHLJDJPZLWRAMPX-UHFFFAOYSA-N
MW250.77 g/mol
LogP3.33
Rot. Bonds3

About 2-(7-chloro-1-methylindol-3-yl)-N,2-dimethylpropan-1-amine

2-(7-chloro-1-methylindol-3-yl)-N,2-dimethylpropan-1-amine (PubChem CID 84634147) has the molecular formula C14H19ClN2 and a molecular weight of 250.77 g/mol. Its IUPAC name is 2-(7-chloro-1-methylindol-3-yl)-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name2-(7-chloro-1-methylindol-3-yl)-N,2-dimethylpropan-1-amine
PubChem CID84634147
Molecular FormulaC14H19ClN2
Molecular Weight250.77 g/mol
Exact Mass250.12
IUPAC Name2-(7-chloro-1-methylindol-3-yl)-N,2-dimethylpropan-1-amine
SMILESCNCC(C)(C)c1cn(C)c2c(Cl)cccc12
InChIInChI=1S/C14H19ClN2/c1-14(2,9-16-3)11-8-17(4)13-10(11)6-5-7-12(13)15/h5-8,16H,9H2,1-4H3
InChIKeyHLJDJPZLWRAMPX-UHFFFAOYSA-N
XLogP3.33
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-N,2-dimethylpropan-1-amine
CID 84630620
3-(7-chloro-1-methylindol-3-yl)-N-methylpropan-1-amine
CID 82496899
2-(3-chloro-2-fluorophenyl)-N,2-dimethylpropan-1-amine
CID 82805898
N-[2-(7-chloro-1-methylindol-3-yl)ethyl]propan-2-amine
CID 82499277
3,7-ditert-butyl-1-methylindole
CID 59882824
methyl 2-(7-chloro-1-methylindol-3-yl)acetate
CID 84741199
7-chloro-1-methyl-3-prop-1-en-2-ylindole
CID 163887392
[1-(7-chloro-1-methylindol-3-yl)cyclopropyl]methanamine
CID 82278339
4-tert-butyl-8-chloro-2-methylisoquinolin-1-one
CID 115063482
1-(3-bromo-7-chloro-1-methylindol-2-yl)-N-methylmethanamine
CID 84643734
1-(7-chloro-1,3-dimethylindol-2-yl)-N-methylethanamine
CID 83868332
N-tert-butyl-2-(3-chloro-2-fluorophenyl)-2-methylpropan-1-amine
CID 82806549

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-1-methylindol-3-yl)-N,2-dimethylpropan-1-amine?
The IUPAC name of 2-(7-chloro-1-methylindol-3-yl)-N,2-dimethylpropan-1-amine (CID 84634147) is 2-(7-chloro-1-methylindol-3-yl)-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 2-(7-chloro-1-methylindol-3-yl)-N,2-dimethylpropan-1-amine?
The canonical SMILES for 2-(7-chloro-1-methylindol-3-yl)-N,2-dimethylpropan-1-amine is CNCC(C)(C)c1cn(C)c2c(Cl)cccc12.
What is the InChIKey of 2-(7-chloro-1-methylindol-3-yl)-N,2-dimethylpropan-1-amine?
The InChIKey is HLJDJPZLWRAMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2/c1-14(2,9-16-3)11-8-17(4)13-10(11)6-5-7-12(13)15/h5-8,16H,9H2,1-4H3.
What are the key properties of 2-(7-chloro-1-methylindol-3-yl)-N,2-dimethylpropan-1-amine?
2-(7-chloro-1-methylindol-3-yl)-N,2-dimethylpropan-1-amine has a molecular weight of 250.77 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-1-methylindol-3-yl)-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 84634147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).