N-[(2-chlorophenyl)methyl]-1-pyridin-3-ylmethanamine;hydrochloride

C13H14Cl2N2 — CID 154879239

IUPACN-[(2-chlorophenyl)methyl]-1-pyridin-3-ylmethanamine;hydrochloride
SMILESCl.Clc1ccccc1CNCc1cccnc1
InChIInChI=1S/C13H13ClN2.ClH/c14-13-6-2-1-5-12(13)10-16-9-11-4-3-7-15-8-11;/h1-8,16H,9-10H2;1H
InChIKeyDTJJEHPRCZSVQR-UHFFFAOYSA-N
MW269.18 g/mol
LogP3.45
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-1-pyridin-3-ylmethanamine;hydrochloride

N-[(2-chlorophenyl)methyl]-1-pyridin-3-ylmethanamine;hydrochloride (PubChem CID 154879239) has the molecular formula C13H14Cl2N2 and a molecular weight of 269.18 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-pyridin-3-ylmethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-pyridin-3-ylmethanamine;hydrochloride
PubChem CID154879239
Molecular FormulaC13H14Cl2N2
Molecular Weight269.18 g/mol
Exact Mass268.05
IUPAC NameN-[(2-chlorophenyl)methyl]-1-pyridin-3-ylmethanamine;hydrochloride
SMILESCl.Clc1ccccc1CNCc1cccnc1
InChIInChI=1S/C13H13ClN2.ClH/c14-13-6-2-1-5-12(13)10-16-9-11-4-3-7-15-8-11;/h1-8,16H,9-10H2;1H
InChIKeyDTJJEHPRCZSVQR-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-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-pyridin-3-ylmethanamine
CID 4721935
N-[(2-chlorophenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 6459303
N-[(2,6-dichlorophenyl)methyl]-1-pyridin-3-ylmethanamine chloride
CID 21233303
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-pyridin-3-ylmethanamine;hydrochloride
CID 17289311
N'-[(2-chlorophenyl)methyl]-N'-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62558301
N'-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide
CID 44998655
N-[(2-chloroquinolin-3-yl)methyl]-1-pyridin-3-ylmethanamine
CID 29228864
1-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(pyridin-3-ylmethyl)methanamine;hydrochloride
CID 17289276
1-pyridin-4-yl-N-(pyridin-3-ylmethyl)methanamine;dihydrochloride
CID 163329891
1-pyridin-3-yl-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 18778355
N-[(3,5-dichlorophenyl)methyl]-1-pyridin-3-ylmethanamine
CID 54803200
N-(pyridin-3-ylmethyl)propan-1-amine;yttrium
CID 59057937

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-pyridin-3-ylmethanamine;hydrochloride?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-pyridin-3-ylmethanamine;hydrochloride (CID 154879239) is N-[(2-chlorophenyl)methyl]-1-pyridin-3-ylmethanamine;hydrochloride.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-pyridin-3-ylmethanamine;hydrochloride?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-pyridin-3-ylmethanamine;hydrochloride is Cl.Clc1ccccc1CNCc1cccnc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-pyridin-3-ylmethanamine;hydrochloride?
The InChIKey is DTJJEHPRCZSVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2.ClH/c14-13-6-2-1-5-12(13)10-16-9-11-4-3-7-15-8-11;/h1-8,16H,9-10H2;1H.
What are the key properties of N-[(2-chlorophenyl)methyl]-1-pyridin-3-ylmethanamine;hydrochloride?
N-[(2-chlorophenyl)methyl]-1-pyridin-3-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-3-ylmethanamine;hydrochloride is sourced from PubChem (CID 154879239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).