N-[[3-(aminomethyl)phenyl]methyl]-2-pyridin-4-ylethanamine

C15H19N3 — CID 115213067

IUPACN-[[3-(aminomethyl)phenyl]methyl]-2-pyridin-4-ylethanamine
SMILESNCc1cccc(CNCCc2ccncc2)c1
InChIInChI=1S/C15H19N3/c16-11-14-2-1-3-15(10-14)12-18-9-6-13-4-7-17-8-5-13/h1-5,7-8,10,18H,6,9,11-12,16H2
InChIKeyPQXZWRFRNDPRCG-UHFFFAOYSA-N
MW241.34 g/mol
LogP1.87
Rot. Bonds6

About N-[[3-(aminomethyl)phenyl]methyl]-2-pyridin-4-ylethanamine

N-[[3-(aminomethyl)phenyl]methyl]-2-pyridin-4-ylethanamine (PubChem CID 115213067) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]-2-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]-2-pyridin-4-ylethanamine
PubChem CID115213067
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-2-pyridin-4-ylethanamine
SMILESNCc1cccc(CNCCc2ccncc2)c1
InChIInChI=1S/C15H19N3/c16-11-14-2-1-3-15(10-14)12-18-9-6-13-4-7-17-8-5-13/h1-5,7-8,10,18H,6,9,11-12,16H2
InChIKeyPQXZWRFRNDPRCG-UHFFFAOYSA-N
XLogP1.87
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 60647921
N-[[3-(aminomethyl)phenyl]methyl]pyridin-4-amine
CID 43589478
N-[[3-(aminomethyl)phenyl]methyl]-2-(2,5-dimethylphenyl)ethanamine
CID 115213050
N-[(4-ethylphenyl)methyl]-2-pyridin-4-ylethanamine
CID 54943545
2-pyridin-4-yl-N-(pyrimidin-2-ylmethyl)ethanamine
CID 62700658
N-[[3-(aminomethyl)phenyl]methyl]but-3-en-1-amine
CID 145380896
N-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-4-ylethanamine
CID 62322147
N-[[3-(aminomethyl)phenyl]methyl]-2-(5-bromothiophen-2-yl)ethanamine
CID 115213054
N-benzyl-2-phenylethanamine;butane-1,4-diamine
CID 23298616
[3-[[(3,4-dimethylphenyl)methylamino]methyl]phenyl]methanamine
CID 115212989
N-[[4-(aminomethyl)phenyl]methyl]-2-(4-methylphenyl)ethanamine
CID 115213247
N-methyl-4-[(2-pyridin-4-ylethylamino)methyl]aniline
CID 115212846

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-2-pyridin-4-ylethanamine?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-2-pyridin-4-ylethanamine (CID 115213067) is N-[[3-(aminomethyl)phenyl]methyl]-2-pyridin-4-ylethanamine.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]-2-pyridin-4-ylethanamine?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]-2-pyridin-4-ylethanamine is NCc1cccc(CNCCc2ccncc2)c1.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]-2-pyridin-4-ylethanamine?
The InChIKey is PQXZWRFRNDPRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c16-11-14-2-1-3-15(10-14)12-18-9-6-13-4-7-17-8-5-13/h1-5,7-8,10,18H,6,9,11-12,16H2.
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]-2-pyridin-4-ylethanamine?
N-[[3-(aminomethyl)phenyl]methyl]-2-pyridin-4-ylethanamine has a molecular weight of 241.34 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)phenyl]methyl]-2-pyridin-4-ylethanamine is sourced from PubChem (CID 115213067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).