N-[(3-chlorophenyl)-(3-chloro-2-pyridinyl)methyl]ethanamine

C14H14Cl2N2 — CID 103444575

IUPACN-[(3-chlorophenyl)-(3-chloro-2-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cccc(Cl)c1)c1ncccc1Cl
InChIInChI=1S/C14H14Cl2N2/c1-2-17-13(10-5-3-6-11(15)9-10)14-12(16)7-4-8-18-14/h3-9,13,17H,2H2,1H3
InChIKeyJXXUVGMZYIJRDP-UHFFFAOYSA-N
MW281.19 g/mol
LogP4.09
Rot. Bonds4

About N-[(3-chlorophenyl)-(3-chloro-2-pyridinyl)methyl]ethanamine

N-[(3-chlorophenyl)-(3-chloro-2-pyridinyl)methyl]ethanamine (PubChem CID 103444575) has the molecular formula C14H14Cl2N2 and a molecular weight of 281.19 g/mol. Its IUPAC name is N-[(3-chlorophenyl)-(3-chloro-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)-(3-chloro-2-pyridinyl)methyl]ethanamine
PubChem CID103444575
Molecular FormulaC14H14Cl2N2
Molecular Weight281.19 g/mol
Exact Mass280.05
IUPAC NameN-[(3-chlorophenyl)-(3-chloro-2-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cccc(Cl)c1)c1ncccc1Cl
InChIInChI=1S/C14H14Cl2N2/c1-2-17-13(10-5-3-6-11(15)9-10)14-12(16)7-4-8-18-14/h3-9,13,17H,2H2,1H3
InChIKeyJXXUVGMZYIJRDP-UHFFFAOYSA-N
XLogP4.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 103444525
N-[(3-chlorophenyl)-quinolin-7-ylmethyl]ethanamine
CID 81210398
N-[(3-chloro-2-pyridinyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]ethanamine
CID 103444524
N-[(3-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 63412201
N-[(3-chloro-2-pyridinyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 103444649
1-(3-chlorophenyl)-1-(3-ethyl-2-pyridinyl)-N-methylmethanamine
CID 82731318
[(3-chloro-2-pyridinyl)-(3-propylphenyl)methyl]hydrazine
CID 103445653
N-[(3-chloro-2-pyridinyl)-(4-cyclobutylphenyl)methyl]ethanamine
CID 103444478
N-[(3-chloro-2-pyridinyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 103444609
N-[(3-chlorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 61315383
N-[(3,5-dichloro-2-pyridinyl)-pyridin-3-ylmethyl]ethanamine
CID 79780969
N-[(3-chloro-2-pyridinyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 103444823

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)-(3-chloro-2-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(3-chlorophenyl)-(3-chloro-2-pyridinyl)methyl]ethanamine (CID 103444575) is N-[(3-chlorophenyl)-(3-chloro-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chlorophenyl)-(3-chloro-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(3-chlorophenyl)-(3-chloro-2-pyridinyl)methyl]ethanamine is CCNC(c1cccc(Cl)c1)c1ncccc1Cl.
What is the InChIKey of N-[(3-chlorophenyl)-(3-chloro-2-pyridinyl)methyl]ethanamine?
The InChIKey is JXXUVGMZYIJRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2/c1-2-17-13(10-5-3-6-11(15)9-10)14-12(16)7-4-8-18-14/h3-9,13,17H,2H2,1H3.
What are the key properties of N-[(3-chlorophenyl)-(3-chloro-2-pyridinyl)methyl]ethanamine?
N-[(3-chlorophenyl)-(3-chloro-2-pyridinyl)methyl]ethanamine has a molecular weight of 281.19 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)-(3-chloro-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 103444575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).