(1S)-1-(2-bromophenyl)-N-(1H-indol-7-ylmethyl)ethanamine

C17H17BrN2 — CID 103880973

IUPAC(1S)-1-(2-bromophenyl)-N-(1H-indol-7-ylmethyl)ethanamine
SMILESC[C@H](NCc1cccc2cc[nH]c12)c1ccccc1Br
InChIInChI=1S/C17H17BrN2/c1-12(15-7-2-3-8-16(15)18)20-11-14-6-4-5-13-9-10-19-17(13)14/h2-10,12,19-20H,11H2,1H3/t12-/m0/s1
InChIKeyFLAMDMBEIMTLOZ-LBPRGKRZSA-N
MW329.24 g/mol
LogP4.78
Rot. Bonds4

About (1S)-1-(2-bromophenyl)-N-(1H-indol-7-ylmethyl)ethanamine

(1S)-1-(2-bromophenyl)-N-(1H-indol-7-ylmethyl)ethanamine (PubChem CID 103880973) has the molecular formula C17H17BrN2 and a molecular weight of 329.24 g/mol. Its IUPAC name is (1S)-1-(2-bromophenyl)-N-(1H-indol-7-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(2-bromophenyl)-N-(1H-indol-7-ylmethyl)ethanamine
PubChem CID103880973
Molecular FormulaC17H17BrN2
Molecular Weight329.24 g/mol
Exact Mass328.06
IUPAC Name(1S)-1-(2-bromophenyl)-N-(1H-indol-7-ylmethyl)ethanamine
SMILESC[C@H](NCc1cccc2cc[nH]c12)c1ccccc1Br
InChIInChI=1S/C17H17BrN2/c1-12(15-7-2-3-8-16(15)18)20-11-14-6-4-5-13-9-10-19-17(13)14/h2-10,12,19-20H,11H2,1H3/t12-/m0/s1
InChIKeyFLAMDMBEIMTLOZ-LBPRGKRZSA-N
XLogP4.78
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-N-(1H-indol-7-ylmethyl)-1-(4-methylphenyl)ethanamine
CID 102911524
N-(1H-indol-7-ylmethyl)-3,3-dimethylbutan-2-amine
CID 113234819
(1R)-1-(2-bromophenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine
CID 81378080
N-(1H-indol-7-ylmethyl)pentan-3-amine;hydrochloride
CID 115606795
1-(2-bromophenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine
CID 60663586
2-(1H-indol-7-ylmethylamino)propane-1,3-diol
CID 115655450
(1R)-1-(2-bromophenyl)-N-[(3-chloro-2-fluorophenyl)methyl]ethanamine
CID 104930257
4-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]benzene-1,2,3-triol
CID 107730923
2-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]-6-ethoxyphenol
CID 81378526
(1R)-1-(2-bromophenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 81384006
(1R)-1-(2-bromophenyl)-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine
CID 81379184
(1S)-1-(2-bromophenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 81383414

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-bromophenyl)-N-(1H-indol-7-ylmethyl)ethanamine?
The IUPAC name of (1S)-1-(2-bromophenyl)-N-(1H-indol-7-ylmethyl)ethanamine (CID 103880973) is (1S)-1-(2-bromophenyl)-N-(1H-indol-7-ylmethyl)ethanamine.
What is the SMILES notation for (1S)-1-(2-bromophenyl)-N-(1H-indol-7-ylmethyl)ethanamine?
The canonical SMILES for (1S)-1-(2-bromophenyl)-N-(1H-indol-7-ylmethyl)ethanamine is C[C@H](NCc1cccc2cc[nH]c12)c1ccccc1Br.
What is the InChIKey of (1S)-1-(2-bromophenyl)-N-(1H-indol-7-ylmethyl)ethanamine?
The InChIKey is FLAMDMBEIMTLOZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H17BrN2/c1-12(15-7-2-3-8-16(15)18)20-11-14-6-4-5-13-9-10-19-17(13)14/h2-10,12,19-20H,11H2,1H3/t12-/m0/s1.
What are the key properties of (1S)-1-(2-bromophenyl)-N-(1H-indol-7-ylmethyl)ethanamine?
(1S)-1-(2-bromophenyl)-N-(1H-indol-7-ylmethyl)ethanamine has a molecular weight of 329.24 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-bromophenyl)-N-(1H-indol-7-ylmethyl)ethanamine is sourced from PubChem (CID 103880973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).