N-[(2-chlorophenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride

C13H14Cl2N2 — CID 6459303

IUPACN-[(2-chlorophenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride
SMILESCl.Clc1ccccc1CNCc1ccncc1
InChIInChI=1S/C13H13ClN2.ClH/c14-13-4-2-1-3-12(13)10-16-9-11-5-7-15-8-6-11;/h1-8,16H,9-10H2;1H
InChIKeyYHVGVJISUAXMIP-UHFFFAOYSA-N
MW269.18 g/mol
LogP3.45
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride

N-[(2-chlorophenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride (PubChem CID 6459303) has the molecular formula C13H14Cl2N2 and a molecular weight of 269.18 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride
PubChem CID6459303
Molecular FormulaC13H14Cl2N2
Molecular Weight269.18 g/mol
Exact Mass268.05
IUPAC NameN-[(2-chlorophenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride
SMILESCl.Clc1ccccc1CNCc1ccncc1
InChIInChI=1S/C13H13ClN2.ClH/c14-13-4-2-1-3-12(13)10-16-9-11-5-7-15-8-6-11;/h1-8,16H,9-10H2;1H
InChIKeyYHVGVJISUAXMIP-UHFFFAOYSA-N
XLogP3.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-1-pyridin-3-ylmethanamine;hydrochloride
CID 154879239
N-[(2-chlorophenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 43226678
N-[[2-(methoxymethyl)phenyl]methyl]-1-pyridin-4-ylmethanamine
CID 60744303
N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine
CID 3162172
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-pyridin-4-ylmethanamine
CID 4718122
N-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 17292621
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-pyridin-4-ylmethanamine
CID 3162186
N-[(2-chlorophenyl)methyl]-1-[4-(methylsulfonylmethyl)phenyl]methanamine
CID 47052625
N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 2996897
N-[(2-chlorophenyl)methyl]-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine
CID 29053761
N-[(2-pyrazol-1-ylphenyl)methyl]-1-pyridin-4-ylmethanamine
CID 61165719
[(2-chlorophenyl)methylamino]methanethiol
CID 88942802

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride (CID 6459303) is N-[(2-chlorophenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride is Cl.Clc1ccccc1CNCc1ccncc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride?
The InChIKey is YHVGVJISUAXMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2.ClH/c14-13-4-2-1-3-12(13)10-16-9-11-5-7-15-8-6-11;/h1-8,16H,9-10H2;1H.
What are the key properties of N-[(2-chlorophenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride?
N-[(2-chlorophenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride has a molecular weight of 269.18 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride is sourced from PubChem (CID 6459303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).