1-(4-bromophenyl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine

C14H17BrN2 — CID 66398996

IUPAC1-(4-bromophenyl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
SMILESCC(NCc1ccn(C)c1)c1ccc(Br)cc1
InChIInChI=1S/C14H17BrN2/c1-11(13-3-5-14(15)6-4-13)16-9-12-7-8-17(2)10-12/h3-8,10-11,16H,9H2,1-2H3
InChIKeyVBENRUYZHABCER-UHFFFAOYSA-N
MW293.21 g/mol
LogP3.64
Rot. Bonds4

About 1-(4-bromophenyl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine

1-(4-bromophenyl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine (PubChem CID 66398996) has the molecular formula C14H17BrN2 and a molecular weight of 293.21 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
PubChem CID66398996
Molecular FormulaC14H17BrN2
Molecular Weight293.21 g/mol
Exact Mass292.06
IUPAC Name1-(4-bromophenyl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
SMILESCC(NCc1ccn(C)c1)c1ccc(Br)cc1
InChIInChI=1S/C14H17BrN2/c1-11(13-3-5-14(15)6-4-13)16-9-12-7-8-17(2)10-12/h3-8,10-11,16H,9H2,1-2H3
InChIKeyVBENRUYZHABCER-UHFFFAOYSA-N
XLogP3.64
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
CID 66399983
[4-[1-[(1-methylpyrrol-3-yl)methylamino]ethyl]phenyl]urea
CID 66398981
N-[(1-methylpyrrol-3-yl)methyl]-1-thiophen-3-ylethanamine
CID 66397715
1-(4-bromophenyl)-N-[(4-ethylphenyl)methyl]ethanamine
CID 60658167
1-(4-bromophenyl)-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 66408975
(1R)-N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 28622733
(1S)-N-[(4-bromophenyl)methyl]-1-phenylethanamine
CID 966918
N-[(1-methylpyrrol-3-yl)methyl]pentan-3-amine
CID 66399758
2-[4-[[1-(4-bromophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol
CID 64830577
(1S)-N-[(4-bromophenyl)methyl]-1-phenylethanamine;hydrochloride
CID 172883048
1-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 43178104
(1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-(4-bromophenyl)ethanamine
CID 81355163

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine?
The IUPAC name of 1-(4-bromophenyl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine (CID 66398996) is 1-(4-bromophenyl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine?
The canonical SMILES for 1-(4-bromophenyl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine is CC(NCc1ccn(C)c1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine?
The InChIKey is VBENRUYZHABCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2/c1-11(13-3-5-14(15)6-4-13)16-9-12-7-8-17(2)10-12/h3-8,10-11,16H,9H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine?
1-(4-bromophenyl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine has a molecular weight of 293.21 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine is sourced from PubChem (CID 66398996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).