(1R)-1-(2-bromophenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine

C13H15BrN2 — CID 81378080

IUPAC(1R)-1-(2-bromophenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine
SMILESC[C@@H](NCc1ccc[nH]1)c1ccccc1Br
InChIInChI=1S/C13H15BrN2/c1-10(12-6-2-3-7-13(12)14)16-9-11-5-4-8-15-11/h2-8,10,15-16H,9H2,1H3/t10-/m1/s1
InChIKeyCJTJNVPNMWQQPR-SNVBAGLBSA-N
MW279.18 g/mol
LogP3.63
Rot. Bonds4

About (1R)-1-(2-bromophenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine

(1R)-1-(2-bromophenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine (PubChem CID 81378080) has the molecular formula C13H15BrN2 and a molecular weight of 279.18 g/mol. Its IUPAC name is (1R)-1-(2-bromophenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-bromophenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine
PubChem CID81378080
Molecular FormulaC13H15BrN2
Molecular Weight279.18 g/mol
Exact Mass278.04
IUPAC Name(1R)-1-(2-bromophenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine
SMILESC[C@@H](NCc1ccc[nH]1)c1ccccc1Br
InChIInChI=1S/C13H15BrN2/c1-10(12-6-2-3-7-13(12)14)16-9-11-5-4-8-15-11/h2-8,10,15-16H,9H2,1H3/t10-/m1/s1
InChIKeyCJTJNVPNMWQQPR-SNVBAGLBSA-N
XLogP3.63
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromophenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine
CID 60663586
1-(2,4-dimethoxyphenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine
CID 62328738
(1S)-1-(2-bromophenyl)-N-(1H-indol-7-ylmethyl)ethanamine
CID 103880973
(1S)-1-(2-bromophenyl)-N-[(3,4-dibromophenyl)methyl]ethanamine
CID 104865453
(1S)-1-(2-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]ethanamine
CID 81382922
1-(2-bromophenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
CID 60978097
N-[1-(2-bromophenyl)ethyl]but-2-yn-1-amine
CID 115865718
N-[1-(2-bromophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 61168179
(1R)-1-(2-bromophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 81383005
(1S)-1-(2-bromophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine
CID 81383318
4-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]benzene-1,2,3-triol
CID 107730923
1-(2-bromophenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 43223395

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-bromophenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine?
The IUPAC name of (1R)-1-(2-bromophenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine (CID 81378080) is (1R)-1-(2-bromophenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine.
What is the SMILES notation for (1R)-1-(2-bromophenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine?
The canonical SMILES for (1R)-1-(2-bromophenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine is C[C@@H](NCc1ccc[nH]1)c1ccccc1Br.
What is the InChIKey of (1R)-1-(2-bromophenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine?
The InChIKey is CJTJNVPNMWQQPR-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H15BrN2/c1-10(12-6-2-3-7-13(12)14)16-9-11-5-4-8-15-11/h2-8,10,15-16H,9H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-(2-bromophenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine?
(1R)-1-(2-bromophenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine has a molecular weight of 279.18 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-bromophenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine is sourced from PubChem (CID 81378080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).