(2R)-1-(2-bromo-1H-indol-3-yl)-N,N-dimethylpropan-2-amine

C13H17BrN2 — CID 157042536

IUPAC(2R)-1-(2-bromo-1H-indol-3-yl)-N,N-dimethylpropan-2-amine
SMILESC[C@H](Cc1c(Br)[nH]c2ccccc12)N(C)C
InChIInChI=1S/C13H17BrN2/c1-9(16(2)3)8-11-10-6-4-5-7-12(10)15-13(11)14/h4-7,9,15H,8H2,1-3H3/t9-/m1/s1
InChIKeyBSDDJWSTDNILMM-SECBINFHSA-N
MW281.20 g/mol
LogP3.42
Rot. Bonds3

About (2R)-1-(2-bromo-1H-indol-3-yl)-N,N-dimethylpropan-2-amine

(2R)-1-(2-bromo-1H-indol-3-yl)-N,N-dimethylpropan-2-amine (PubChem CID 157042536) has the molecular formula C13H17BrN2 and a molecular weight of 281.20 g/mol. Its IUPAC name is (2R)-1-(2-bromo-1H-indol-3-yl)-N,N-dimethylpropan-2-amine.

Molecular Properties

Compound Name(2R)-1-(2-bromo-1H-indol-3-yl)-N,N-dimethylpropan-2-amine
PubChem CID157042536
Molecular FormulaC13H17BrN2
Molecular Weight281.20 g/mol
Exact Mass280.06
IUPAC Name(2R)-1-(2-bromo-1H-indol-3-yl)-N,N-dimethylpropan-2-amine
SMILESC[C@H](Cc1c(Br)[nH]c2ccccc12)N(C)C
InChIInChI=1S/C13H17BrN2/c1-9(16(2)3)8-11-10-6-4-5-7-12(10)15-13(11)14/h4-7,9,15H,8H2,1-3H3/t9-/m1/s1
InChIKeyBSDDJWSTDNILMM-SECBINFHSA-N
XLogP3.42
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.20
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethyl (2S)-2-amino-3-(2-bromo-1H-indol-3-yl)propanoate
CID 15343755
4-amino-3-[3-[2-(dimethylamino)propyl]-1H-indol-2-yl]-4-phenylbut-3-en-2-one
CID 70453546
methyl 2-(2-bromo-1H-indol-3-yl)acetate
CID 27281283
3-[2-(dimethylamino)-2-phenylethyl]-1H-indol-2-amine
CID 159837555
1-(3-ethyl-1H-indol-2-yl)-N,N-dimethylmethanamine
CID 71197818
bis(9H-carbazole);propane
CID 90987002
2-but-3-en-2-yl-3-propyl-1H-indole
CID 143390635
2,3-diethyl-1H-indole;hydrate
CID 70606554
1-O-tert-butyl 4-O-methyl (2R)-2-[[(2R)-2-amino-3-(2-bromo-1H-indol-3-yl)propanoyl]amino]butanedioate
CID 10742896
2-[(2-ethylsulfanyl-1H-indol-3-yl)methyl]propane-1,3-diol
CID 10890785
3-ethyl-2-[(E)-4-methylpent-1-enyl]-1H-indole
CID 172908261
methyl 3-[[2-[2-aminopropanoyl(methyl)amino]-3-(2-bromo-1H-indol-3-yl)propanoyl]amino]-3-[4-tri(propan-2-yl)silyloxyphenyl]propanoate
CID 73311177

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-bromo-1H-indol-3-yl)-N,N-dimethylpropan-2-amine?
The IUPAC name of (2R)-1-(2-bromo-1H-indol-3-yl)-N,N-dimethylpropan-2-amine (CID 157042536) is (2R)-1-(2-bromo-1H-indol-3-yl)-N,N-dimethylpropan-2-amine.
What is the SMILES notation for (2R)-1-(2-bromo-1H-indol-3-yl)-N,N-dimethylpropan-2-amine?
The canonical SMILES for (2R)-1-(2-bromo-1H-indol-3-yl)-N,N-dimethylpropan-2-amine is C[C@H](Cc1c(Br)[nH]c2ccccc12)N(C)C.
What is the InChIKey of (2R)-1-(2-bromo-1H-indol-3-yl)-N,N-dimethylpropan-2-amine?
The InChIKey is BSDDJWSTDNILMM-SECBINFHSA-N. The full InChI is InChI=1S/C13H17BrN2/c1-9(16(2)3)8-11-10-6-4-5-7-12(10)15-13(11)14/h4-7,9,15H,8H2,1-3H3/t9-/m1/s1.
What are the key properties of (2R)-1-(2-bromo-1H-indol-3-yl)-N,N-dimethylpropan-2-amine?
(2R)-1-(2-bromo-1H-indol-3-yl)-N,N-dimethylpropan-2-amine has a molecular weight of 281.20 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-bromo-1H-indol-3-yl)-N,N-dimethylpropan-2-amine is sourced from PubChem (CID 157042536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).