N-[[4-(aminomethyl)phenyl]methyl]-5-bromopyridin-2-amine

C13H14BrN3 — CID 60917735

IUPACN-[[4-(aminomethyl)phenyl]methyl]-5-bromopyridin-2-amine
SMILESNCc1ccc(CNc2ccc(Br)cn2)cc1
InChIInChI=1S/C13H14BrN3/c14-12-5-6-13(17-9-12)16-8-11-3-1-10(7-15)2-4-11/h1-6,9H,7-8,15H2,(H,16,17)
InChIKeyPPYOVYZAXSMIKZ-UHFFFAOYSA-N
MW292.18 g/mol
LogP2.91
Rot. Bonds4

About N-[[4-(aminomethyl)phenyl]methyl]-5-bromopyridin-2-amine

N-[[4-(aminomethyl)phenyl]methyl]-5-bromopyridin-2-amine (PubChem CID 60917735) has the molecular formula C13H14BrN3 and a molecular weight of 292.18 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-5-bromopyridin-2-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-5-bromopyridin-2-amine
PubChem CID60917735
Molecular FormulaC13H14BrN3
Molecular Weight292.18 g/mol
Exact Mass291.04
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-5-bromopyridin-2-amine
SMILESNCc1ccc(CNc2ccc(Br)cn2)cc1
InChIInChI=1S/C13H14BrN3/c14-12-5-6-13(17-9-12)16-8-11-3-1-10(7-15)2-4-11/h1-6,9H,7-8,15H2,(H,16,17)
InChIKeyPPYOVYZAXSMIKZ-UHFFFAOYSA-N
XLogP2.91
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-5-methylpyridin-2-amine
CID 54936126
N-[(4-bromophenyl)methyl]-5-chloropyridin-2-amine
CID 60705114
5-bromo-N-[(4-butan-2-ylphenyl)methyl]pyridin-2-amine
CID 115146662
5-bromo-N-(naphthalen-2-ylmethyl)pyridin-2-amine
CID 115146732
N-[(4-bromophenyl)methyl]-5-methoxypyridin-2-amine
CID 103802163
N-[[4-(aminomethyl)phenyl]methyl]pyrazin-2-amine
CID 60918656
5-bromo-N-[(4-methoxy-3-methylphenyl)methyl]pyridin-2-amine
CID 115146650
6-N-[(4-bromophenyl)methyl]pyridine-2,3,6-triamine
CID 79823347
N-[[4-(2-aminoethyl)phenyl]methyl]-5-chloropyridin-2-amine
CID 62503194
5-bromo-N-[(6-ethoxy-2-pyridinyl)methyl]pyridin-2-amine
CID 86814617
5-bromo-N-[(3-bromothiophen-2-yl)methyl]pyridin-2-amine
CID 78999146
5-bromo-N-(furan-2-ylmethyl)pyridin-2-amine
CID 28541636

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-5-bromopyridin-2-amine?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-5-bromopyridin-2-amine (CID 60917735) is N-[[4-(aminomethyl)phenyl]methyl]-5-bromopyridin-2-amine.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-5-bromopyridin-2-amine?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-5-bromopyridin-2-amine is NCc1ccc(CNc2ccc(Br)cn2)cc1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-5-bromopyridin-2-amine?
The InChIKey is PPYOVYZAXSMIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3/c14-12-5-6-13(17-9-12)16-8-11-3-1-10(7-15)2-4-11/h1-6,9H,7-8,15H2,(H,16,17).
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-5-bromopyridin-2-amine?
N-[[4-(aminomethyl)phenyl]methyl]-5-bromopyridin-2-amine has a molecular weight of 292.18 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-5-bromopyridin-2-amine is sourced from PubChem (CID 60917735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).