(6-chloro-1-propan-2-ylindol-3-yl)methanamine

C12H15ClN2 — CID 117122224

IUPAC(6-chloro-1-propan-2-ylindol-3-yl)methanamine
SMILESCC(C)n1cc(CN)c2ccc(Cl)cc21
InChIInChI=1S/C12H15ClN2/c1-8(2)15-7-9(6-14)11-4-3-10(13)5-12(11)15/h3-5,7-8H,6,14H2,1-2H3
InChIKeySHTLLQRAORTQRE-UHFFFAOYSA-N
MW222.72 g/mol
LogP3.33
Rot. Bonds2

About (6-chloro-1-propan-2-ylindol-3-yl)methanamine

(6-chloro-1-propan-2-ylindol-3-yl)methanamine (PubChem CID 117122224) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is (6-chloro-1-propan-2-ylindol-3-yl)methanamine.

Molecular Properties

Compound Name(6-chloro-1-propan-2-ylindol-3-yl)methanamine
PubChem CID117122224
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name(6-chloro-1-propan-2-ylindol-3-yl)methanamine
SMILESCC(C)n1cc(CN)c2ccc(Cl)cc21
InChIInChI=1S/C12H15ClN2/c1-8(2)15-7-9(6-14)11-4-3-10(13)5-12(11)15/h3-5,7-8H,6,14H2,1-2H3
InChIKeySHTLLQRAORTQRE-UHFFFAOYSA-N
XLogP3.33
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(aminomethyl)-1-propan-2-ylindol-6-yl]methanamine
CID 117178738
3-(aminomethyl)-1-propan-2-ylindol-5-amine
CID 117175454
6-chloro-1-propan-2-ylindole-3-carbaldehyde
CID 117122246
1-(6-chloro-1-propan-2-ylindol-3-yl)-N-methylethanamine
CID 117196326
[6-chloro-1-(2-ethylsulfanylethyl)indol-3-yl]methanamine
CID 113473972
N-[[6-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]cyclopropanamine
CID 117178730
[3-(ethoxymethyl)-1-propan-2-ylindol-6-yl]methanamine
CID 117178798
3-(2-aminoethyl)-1-propan-2-ylindole-6-carboxylic acid
CID 83946617
2-(6-chloro-1-methylindol-3-yl)propan-1-amine
CID 82494528
3,5-dichloro-1-propan-2-ylindole
CID 166553086
2-(1-propan-2-ylindol-3-yl)ethanamine
CID 5115445
1-(5-chloro-1-propan-2-ylindol-3-yl)-N-methylpropan-2-amine
CID 117195612

Frequently Asked Questions

What is the IUPAC name of (6-chloro-1-propan-2-ylindol-3-yl)methanamine?
The IUPAC name of (6-chloro-1-propan-2-ylindol-3-yl)methanamine (CID 117122224) is (6-chloro-1-propan-2-ylindol-3-yl)methanamine.
What is the SMILES notation for (6-chloro-1-propan-2-ylindol-3-yl)methanamine?
The canonical SMILES for (6-chloro-1-propan-2-ylindol-3-yl)methanamine is CC(C)n1cc(CN)c2ccc(Cl)cc21.
What is the InChIKey of (6-chloro-1-propan-2-ylindol-3-yl)methanamine?
The InChIKey is SHTLLQRAORTQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2/c1-8(2)15-7-9(6-14)11-4-3-10(13)5-12(11)15/h3-5,7-8H,6,14H2,1-2H3.
What are the key properties of (6-chloro-1-propan-2-ylindol-3-yl)methanamine?
(6-chloro-1-propan-2-ylindol-3-yl)methanamine has a molecular weight of 222.72 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-1-propan-2-ylindol-3-yl)methanamine is sourced from PubChem (CID 117122224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).