N-[(3,5-dichlorophenyl)methyl]-1-pyridin-3-ylmethanamine

C13H12Cl2N2 — CID 54803200

IUPACN-[(3,5-dichlorophenyl)methyl]-1-pyridin-3-ylmethanamine
SMILESClc1cc(Cl)cc(CNCc2cccnc2)c1
InChIInChI=1S/C13H12Cl2N2/c14-12-4-11(5-13(15)6-12)9-17-8-10-2-1-3-16-7-10/h1-7,17H,8-9H2
InChIKeyHESKNYYVTAEFBH-UHFFFAOYSA-N
MW267.16 g/mol
LogP3.68
Rot. Bonds4

About N-[(3,5-dichlorophenyl)methyl]-1-pyridin-3-ylmethanamine

N-[(3,5-dichlorophenyl)methyl]-1-pyridin-3-ylmethanamine (PubChem CID 54803200) has the molecular formula C13H12Cl2N2 and a molecular weight of 267.16 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)methyl]-1-pyridin-3-ylmethanamine
PubChem CID54803200
Molecular FormulaC13H12Cl2N2
Molecular Weight267.16 g/mol
Exact Mass266.04
IUPAC NameN-[(3,5-dichlorophenyl)methyl]-1-pyridin-3-ylmethanamine
SMILESClc1cc(Cl)cc(CNCc2cccnc2)c1
InChIInChI=1S/C13H12Cl2N2/c14-12-4-11(5-13(15)6-12)9-17-8-10-2-1-3-16-7-10/h1-7,17H,8-9H2
InChIKeyHESKNYYVTAEFBH-UHFFFAOYSA-N
XLogP3.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,6-dichlorophenyl)methyl]-1-pyridin-3-ylmethanamine chloride
CID 21233303
1-pyridin-4-yl-N-(pyridin-3-ylmethyl)methanamine;dihydrochloride
CID 163329891
N-[(2-chlorophenyl)methyl]-1-pyridin-3-ylmethanamine;hydrochloride
CID 154879239
N-(1,2-oxazol-3-ylmethyl)-1-pyridin-3-ylmethanamine
CID 79496321
1-phenyl-N-(pyridin-3-ylmethyl)methanamine;N-(pyridin-3-ylmethyl)ethanamine
CID 174270590
N-[(2-chloroquinolin-3-yl)methyl]-1-pyridin-3-ylmethanamine
CID 29228864
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
CID 54855342
N-(pyridin-3-ylmethyl)propan-1-amine;yttrium
CID 59057937
4-chloro-N-(pyridin-3-ylmethyl)butan-1-amine
CID 106844346
N-[(5-chloro-2-ethoxy-3-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine;dihydrochloride
CID 90485938
N-[(3,5-dichlorophenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine
CID 60859308
3-[(pyridin-3-ylmethylamino)methyl]benzonitrile
CID 28670946

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)methyl]-1-pyridin-3-ylmethanamine?
The IUPAC name of N-[(3,5-dichlorophenyl)methyl]-1-pyridin-3-ylmethanamine (CID 54803200) is N-[(3,5-dichlorophenyl)methyl]-1-pyridin-3-ylmethanamine.
What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]-1-pyridin-3-ylmethanamine?
The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]-1-pyridin-3-ylmethanamine is Clc1cc(Cl)cc(CNCc2cccnc2)c1.
What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]-1-pyridin-3-ylmethanamine?
The InChIKey is HESKNYYVTAEFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2/c14-12-4-11(5-13(15)6-12)9-17-8-10-2-1-3-16-7-10/h1-7,17H,8-9H2.
What are the key properties of N-[(3,5-dichlorophenyl)methyl]-1-pyridin-3-ylmethanamine?
N-[(3,5-dichlorophenyl)methyl]-1-pyridin-3-ylmethanamine has a molecular weight of 267.16 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)methyl]-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 54803200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).