N-[(3-bromophenyl)-pyridin-3-ylmethyl]ethanamine

C14H15BrN2 — CID 54861187

IUPACN-[(3-bromophenyl)-pyridin-3-ylmethyl]ethanamine
SMILESCCNC(c1cccnc1)c1cccc(Br)c1
InChIInChI=1S/C14H15BrN2/c1-2-17-14(12-6-4-8-16-10-12)11-5-3-7-13(15)9-11/h3-10,14,17H,2H2,1H3
InChIKeyADOWEXQWGFURPW-UHFFFAOYSA-N
MW291.19 g/mol
LogP3.54
Rot. Bonds4

About N-[(3-bromophenyl)-pyridin-3-ylmethyl]ethanamine

N-[(3-bromophenyl)-pyridin-3-ylmethyl]ethanamine (PubChem CID 54861187) has the molecular formula C14H15BrN2 and a molecular weight of 291.19 g/mol. Its IUPAC name is N-[(3-bromophenyl)-pyridin-3-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromophenyl)-pyridin-3-ylmethyl]ethanamine
PubChem CID54861187
Molecular FormulaC14H15BrN2
Molecular Weight291.19 g/mol
Exact Mass290.04
IUPAC NameN-[(3-bromophenyl)-pyridin-3-ylmethyl]ethanamine
SMILESCCNC(c1cccnc1)c1cccc(Br)c1
InChIInChI=1S/C14H15BrN2/c1-2-17-14(12-6-4-8-16-10-12)11-5-3-7-13(15)9-11/h3-10,14,17H,2H2,1H3
InChIKeyADOWEXQWGFURPW-UHFFFAOYSA-N
XLogP3.54
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromothiophen-3-yl)-pyridin-3-ylmethyl]ethanamine
CID 105098243
N-[(5-bromo-2-methylphenyl)-pyridin-3-ylmethyl]ethanamine
CID 115799160
N-[(5-bromo-2-ethoxyphenyl)-pyridin-3-ylmethyl]ethanamine
CID 43493541
N-[(4-chlorophenyl)-pyridin-3-ylmethyl]ethanamine
CID 43488958
N-[(3-bromo-2-fluorophenyl)-pyridin-3-ylmethyl]ethanamine
CID 106645324
N-[(3-chloro-4-fluorophenyl)-pyridin-3-ylmethyl]ethanamine
CID 63087157
N-[(4-butan-2-ylphenyl)-pyridin-3-ylmethyl]ethanamine
CID 43490300
N-[2,3-dihydro-1,4-benzodioxin-6-yl(pyridin-3-yl)methyl]ethanamine
CID 43490467
N-[(S)-2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]ethanamine
CID 51695445
1-(3-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 79139230
N-[(4-bromophenyl)-pyridin-3-ylmethyl]propan-1-amine
CID 43494512
N-[(3-bromo-4-fluorophenyl)-(3-bromophenyl)methyl]ethanamine
CID 79747194

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)-pyridin-3-ylmethyl]ethanamine?
The IUPAC name of N-[(3-bromophenyl)-pyridin-3-ylmethyl]ethanamine (CID 54861187) is N-[(3-bromophenyl)-pyridin-3-ylmethyl]ethanamine.
What is the SMILES notation for N-[(3-bromophenyl)-pyridin-3-ylmethyl]ethanamine?
The canonical SMILES for N-[(3-bromophenyl)-pyridin-3-ylmethyl]ethanamine is CCNC(c1cccnc1)c1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)-pyridin-3-ylmethyl]ethanamine?
The InChIKey is ADOWEXQWGFURPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2/c1-2-17-14(12-6-4-8-16-10-12)11-5-3-7-13(15)9-11/h3-10,14,17H,2H2,1H3.
What are the key properties of N-[(3-bromophenyl)-pyridin-3-ylmethyl]ethanamine?
N-[(3-bromophenyl)-pyridin-3-ylmethyl]ethanamine has a molecular weight of 291.19 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)-pyridin-3-ylmethyl]ethanamine is sourced from PubChem (CID 54861187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).