N-[(3-bromo-6-chloro-1H-indol-2-yl)methyl]propan-2-amine

C12H14BrClN2 — CID 84644665

IUPACN-[(3-bromo-6-chloro-1H-indol-2-yl)methyl]propan-2-amine
SMILESCC(C)NCc1[nH]c2cc(Cl)ccc2c1Br
InChIInChI=1S/C12H14BrClN2/c1-7(2)15-6-11-12(13)9-4-3-8(14)5-10(9)16-11/h3-5,7,15-16H,6H2,1-2H3
InChIKeyLMLOGBTVTNERPH-UHFFFAOYSA-N
MW301.62 g/mol
LogP4.08
Rot. Bonds3

About N-[(3-bromo-6-chloro-1H-indol-2-yl)methyl]propan-2-amine

N-[(3-bromo-6-chloro-1H-indol-2-yl)methyl]propan-2-amine (PubChem CID 84644665) has the molecular formula C12H14BrClN2 and a molecular weight of 301.62 g/mol. Its IUPAC name is N-[(3-bromo-6-chloro-1H-indol-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(3-bromo-6-chloro-1H-indol-2-yl)methyl]propan-2-amine
PubChem CID84644665
Molecular FormulaC12H14BrClN2
Molecular Weight301.62 g/mol
Exact Mass300.00
IUPAC NameN-[(3-bromo-6-chloro-1H-indol-2-yl)methyl]propan-2-amine
SMILESCC(C)NCc1[nH]c2cc(Cl)ccc2c1Br
InChIInChI=1S/C12H14BrClN2/c1-7(2)15-6-11-12(13)9-4-3-8(14)5-10(9)16-11/h3-5,7,15-16H,6H2,1-2H3
InChIKeyLMLOGBTVTNERPH-UHFFFAOYSA-N
XLogP4.08
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.62
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(6-bromo-3-methyl-1H-indol-2-yl)methyl]propan-2-amine
CID 84642876
1-(3-bromo-5-chloro-1H-indol-2-yl)-N-methylmethanamine
CID 84641981
N-[(6-chloro-5-methoxy-3-methyl-1H-indol-2-yl)methyl]propan-2-amine
CID 84640296
2-bromo-6-chloro-3-methyl-1H-indole
CID 84631725
3-bromo-6-chloro-2-cyclopropyl-1H-indole
CID 82379195
1-(2,6-dichloro-1H-indol-3-yl)ethanol
CID 82269694
N-[[5-chloro-2-(3,4,5-trifluorophenyl)phenyl]methyl]propan-2-amine
CID 66160299
N-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]propan-2-amine
CID 167531090
N-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]propan-2-amine
CID 63424149
2-bromo-3,7-dichloro-1H-quinolin-4-one
CID 174901251
2-(6-chloro-2-methyl-1H-indol-3-yl)-3-methylbutan-1-amine
CID 82499289
(1S)-1-(2-bromophenyl)-N-[(3-chloro-1H-indol-2-yl)methyl]ethanamine
CID 81378563

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-6-chloro-1H-indol-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(3-bromo-6-chloro-1H-indol-2-yl)methyl]propan-2-amine (CID 84644665) is N-[(3-bromo-6-chloro-1H-indol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(3-bromo-6-chloro-1H-indol-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(3-bromo-6-chloro-1H-indol-2-yl)methyl]propan-2-amine is CC(C)NCc1[nH]c2cc(Cl)ccc2c1Br.
What is the InChIKey of N-[(3-bromo-6-chloro-1H-indol-2-yl)methyl]propan-2-amine?
The InChIKey is LMLOGBTVTNERPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN2/c1-7(2)15-6-11-12(13)9-4-3-8(14)5-10(9)16-11/h3-5,7,15-16H,6H2,1-2H3.
What are the key properties of N-[(3-bromo-6-chloro-1H-indol-2-yl)methyl]propan-2-amine?
N-[(3-bromo-6-chloro-1H-indol-2-yl)methyl]propan-2-amine has a molecular weight of 301.62 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-6-chloro-1H-indol-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 84644665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).