1-(3-bromophenyl)-N-(pyrimidin-5-ylmethyl)ethanamine

C13H14BrN3 — CID 62758584

IUPAC1-(3-bromophenyl)-N-(pyrimidin-5-ylmethyl)ethanamine
SMILESCC(NCc1cncnc1)c1cccc(Br)c1
InChIInChI=1S/C13H14BrN3/c1-10(12-3-2-4-13(14)5-12)17-8-11-6-15-9-16-7-11/h2-7,9-10,17H,8H2,1H3
InChIKeyXVXOAQLENVNDSK-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.09
Rot. Bonds4

About 1-(3-bromophenyl)-N-(pyrimidin-5-ylmethyl)ethanamine

1-(3-bromophenyl)-N-(pyrimidin-5-ylmethyl)ethanamine (PubChem CID 62758584) has the molecular formula C13H14BrN3 and a molecular weight of 292.18 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-(pyrimidin-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-(pyrimidin-5-ylmethyl)ethanamine
PubChem CID62758584
Molecular FormulaC13H14BrN3
Molecular Weight292.18 g/mol
Exact Mass291.04
IUPAC Name1-(3-bromophenyl)-N-(pyrimidin-5-ylmethyl)ethanamine
SMILESCC(NCc1cncnc1)c1cccc(Br)c1
InChIInChI=1S/C13H14BrN3/c1-10(12-3-2-4-13(14)5-12)17-8-11-6-15-9-16-7-11/h2-7,9-10,17H,8H2,1H3
InChIKeyXVXOAQLENVNDSK-UHFFFAOYSA-N
XLogP3.09
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(3-bromophenyl)-N-[(5-bromo-3-pyridinyl)methyl]ethanamine
CID 104797063
(1S)-1-phenyl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 78950279
(1S)-1-(3-bromophenyl)-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 81382162
1-(3-bromophenyl)-N-[(3,4-dichlorophenyl)methyl]ethanamine
CID 43426655
4-[[[(1R)-1-(3-bromophenyl)ethyl]amino]methyl]phenol
CID 81381238
(1R)-1-(3-bromophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 81382701
(1R)-1-(3-bromophenyl)-N-[(5-bromo-2-pyridinyl)methyl]ethanamine
CID 81381332
N-[(3-bromophenyl)methyl]-1-phenylethanamine
CID 2756844
1-pyridin-4-yl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 62759133
(1S)-N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-bromophenyl)ethanamine
CID 81437241
N-[1-(3-bromophenyl)ethyl]-3-methylbutan-1-amine
CID 43193038
(1S)-1-(3-bromophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81380969

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-(pyrimidin-5-ylmethyl)ethanamine?
The IUPAC name of 1-(3-bromophenyl)-N-(pyrimidin-5-ylmethyl)ethanamine (CID 62758584) is 1-(3-bromophenyl)-N-(pyrimidin-5-ylmethyl)ethanamine.
What is the SMILES notation for 1-(3-bromophenyl)-N-(pyrimidin-5-ylmethyl)ethanamine?
The canonical SMILES for 1-(3-bromophenyl)-N-(pyrimidin-5-ylmethyl)ethanamine is CC(NCc1cncnc1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-(pyrimidin-5-ylmethyl)ethanamine?
The InChIKey is XVXOAQLENVNDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3/c1-10(12-3-2-4-13(14)5-12)17-8-11-6-15-9-16-7-11/h2-7,9-10,17H,8H2,1H3.
What are the key properties of 1-(3-bromophenyl)-N-(pyrimidin-5-ylmethyl)ethanamine?
1-(3-bromophenyl)-N-(pyrimidin-5-ylmethyl)ethanamine has a molecular weight of 292.18 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-(pyrimidin-5-ylmethyl)ethanamine is sourced from PubChem (CID 62758584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).