N-[[1-[(2-bromophenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine

C16H21BrN2 — CID 66402822

IUPACN-[[1-[(2-bromophenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cccn1Cc1ccccc1Br
InChIInChI=1S/C16H21BrN2/c1-13(2)10-18-11-15-7-5-9-19(15)12-14-6-3-4-8-16(14)17/h3-9,13,18H,10-12H2,1-2H3
InChIKeyLGHQKAFDJJVZDL-UHFFFAOYSA-N
MW321.26 g/mol
LogP4.04
Rot. Bonds6

About N-[[1-[(2-bromophenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine

N-[[1-[(2-bromophenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 66402822) has the molecular formula C16H21BrN2 and a molecular weight of 321.26 g/mol. Its IUPAC name is N-[[1-[(2-bromophenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-[(2-bromophenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID66402822
Molecular FormulaC16H21BrN2
Molecular Weight321.26 g/mol
Exact Mass320.09
IUPAC NameN-[[1-[(2-bromophenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cccn1Cc1ccccc1Br
InChIInChI=1S/C16H21BrN2/c1-13(2)10-18-11-15-7-5-9-19(15)12-14-6-3-4-8-16(14)17/h3-9,13,18H,10-12H2,1-2H3
InChIKeyLGHQKAFDJJVZDL-UHFFFAOYSA-N
XLogP4.04
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.26
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(2-bromophenyl)methyl]pyrrol-2-yl]methyl]propan-2-amine
CID 66403749
N-[[1-[(2,3-difluorophenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine
CID 66402047
N-[[1-[(2-bromophenyl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine
CID 66403032
N-[[1-[(3-chloro-2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine
CID 102856743
N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine
CID 104792951
2-methyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-2-yl]methyl]propan-1-amine
CID 66402434
2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]methyl]propan-1-amine
CID 66403801
N-[[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrol-2-yl]methyl]-2-methylpropan-1-amine
CID 66403593
N-[[1-[(3-ethylimidazol-4-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine
CID 66402249
N-[[1-[(2-bromophenyl)methyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66191718
2-methyl-N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrol-2-yl]methyl]propan-1-amine
CID 66400862
1-[1-[(2-bromophenyl)methyl]pyrrol-2-yl]ethanamine
CID 79103009

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-bromophenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-[(2-bromophenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine (CID 66402822) is N-[[1-[(2-bromophenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-[(2-bromophenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-[(2-bromophenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cccn1Cc1ccccc1Br.
What is the InChIKey of N-[[1-[(2-bromophenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is LGHQKAFDJJVZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2/c1-13(2)10-18-11-15-7-5-9-19(15)12-14-6-3-4-8-16(14)17/h3-9,13,18H,10-12H2,1-2H3.
What are the key properties of N-[[1-[(2-bromophenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine?
N-[[1-[(2-bromophenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 321.26 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-bromophenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 66402822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).