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

C15H19BrN2 — CID 66403749

IUPACN-[[1-[(2-bromophenyl)methyl]pyrrol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cccn1Cc1ccccc1Br
InChIInChI=1S/C15H19BrN2/c1-12(2)17-10-14-7-5-9-18(14)11-13-6-3-4-8-15(13)16/h3-9,12,17H,10-11H2,1-2H3
InChIKeyKVTWXMHQHXBQBJ-UHFFFAOYSA-N
MW307.24 g/mol
LogP3.80
Rot. Bonds5

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

N-[[1-[(2-bromophenyl)methyl]pyrrol-2-yl]methyl]propan-2-amine (PubChem CID 66403749) has the molecular formula C15H19BrN2 and a molecular weight of 307.24 g/mol. Its IUPAC name is N-[[1-[(2-bromophenyl)methyl]pyrrol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(2-bromophenyl)methyl]pyrrol-2-yl]methyl]propan-2-amine
PubChem CID66403749
Molecular FormulaC15H19BrN2
Molecular Weight307.24 g/mol
Exact Mass306.07
IUPAC NameN-[[1-[(2-bromophenyl)methyl]pyrrol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cccn1Cc1ccccc1Br
InChIInChI=1S/C15H19BrN2/c1-12(2)17-10-14-7-5-9-18(14)11-13-6-3-4-8-15(13)16/h3-9,12,17H,10-11H2,1-2H3
InChIKeyKVTWXMHQHXBQBJ-UHFFFAOYSA-N
XLogP3.80
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.24
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]propan-2-amine
CID 66401206
N-[[1-[(2-bromophenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine
CID 66402822
N-[[3-[(2-bromophenyl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 66147990
N-[(2-bromophenyl)methyl]propan-2-amine
CID 11988160
N-[[1-[(5-bromothiophen-2-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine
CID 66401605
N-[(2-bromophenyl)methyl]propan-2-amine chloride
CID 19629100
N-[[1-[(2-bromophenyl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine
CID 66403032
N-[[1-(2-methylpropyl)pyrrol-2-yl]methyl]propan-2-amine
CID 66400804
N-[[1-[(3-bromo-5-fluorophenyl)methyl]pyrrol-2-yl]methyl]propan-2-amine
CID 79702656
1-[1-[(2-bromophenyl)methyl]pyrrol-2-yl]ethanamine
CID 79103009
N-[[1-[(3,5-difluorophenyl)methyl]pyrrol-2-yl]methyl]propan-2-amine
CID 105405116
N-[[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine
CID 66402190

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-bromophenyl)methyl]pyrrol-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(2-bromophenyl)methyl]pyrrol-2-yl]methyl]propan-2-amine (CID 66403749) is N-[[1-[(2-bromophenyl)methyl]pyrrol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(2-bromophenyl)methyl]pyrrol-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(2-bromophenyl)methyl]pyrrol-2-yl]methyl]propan-2-amine is CC(C)NCc1cccn1Cc1ccccc1Br.
What is the InChIKey of N-[[1-[(2-bromophenyl)methyl]pyrrol-2-yl]methyl]propan-2-amine?
The InChIKey is KVTWXMHQHXBQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2/c1-12(2)17-10-14-7-5-9-18(14)11-13-6-3-4-8-15(13)16/h3-9,12,17H,10-11H2,1-2H3.
What are the key properties of N-[[1-[(2-bromophenyl)methyl]pyrrol-2-yl]methyl]propan-2-amine?
N-[[1-[(2-bromophenyl)methyl]pyrrol-2-yl]methyl]propan-2-amine has a molecular weight of 307.24 g/mol, XLogP of 3.80, 5 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]propan-2-amine is sourced from PubChem (CID 66403749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).