N-[(2,3-dichlorophenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine

C15H16Cl2N2 — CID 106755221

IUPACN-[(2,3-dichlorophenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccnc(C)c1)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H16Cl2N2/c1-3-18-15(11-7-8-19-10(2)9-11)12-5-4-6-13(16)14(12)17/h4-9,15,18H,3H2,1-2H3
InChIKeyJTVNHMPLYDYYSK-UHFFFAOYSA-N
MW295.21 g/mol
LogP4.40
Rot. Bonds4

About N-[(2,3-dichlorophenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine

N-[(2,3-dichlorophenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine (PubChem CID 106755221) has the molecular formula C15H16Cl2N2 and a molecular weight of 295.21 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine
PubChem CID106755221
Molecular FormulaC15H16Cl2N2
Molecular Weight295.21 g/mol
Exact Mass294.07
IUPAC NameN-[(2,3-dichlorophenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccnc(C)c1)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H16Cl2N2/c1-3-18-15(11-7-8-19-10(2)9-11)12-5-4-6-13(16)14(12)17/h4-9,15,18H,3H2,1-2H3
InChIKeyJTVNHMPLYDYYSK-UHFFFAOYSA-N
XLogP4.40
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,3-dichlorophenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115854889
N-[(3-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 63412201
N-[bis(2,3-dichlorophenyl)methyl]ethanamine
CID 115851351
N-[(2,3-dichlorophenyl)-(3-iodophenyl)methyl]ethanamine
CID 115851391
N-[(3-bromophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 63413138
N-[(3-bromo-4-methylphenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 115851243
N-[(4-bromo-3-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 115851170
N-[(3-chlorothiophen-2-yl)-(2-methyl-4-pyridinyl)methyl]ethanamine
CID 107361874
N-[(2,3-dichlorophenyl)-(3-ethyl-2-pyridinyl)methyl]ethanamine
CID 82729644
N-[(2,3-difluoro-4-methylphenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine
CID 107515944
N-[(2-methyl-4-pyridinyl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 106756018
N-[(2,3-dichlorophenyl)-pyridin-4-ylmethyl]propan-1-amine
CID 62790171

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(2,3-dichlorophenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine (CID 106755221) is N-[(2,3-dichlorophenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,3-dichlorophenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(2,3-dichlorophenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine is CCNC(c1ccnc(C)c1)c1cccc(Cl)c1Cl.
What is the InChIKey of N-[(2,3-dichlorophenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine?
The InChIKey is JTVNHMPLYDYYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2/c1-3-18-15(11-7-8-19-10(2)9-11)12-5-4-6-13(16)14(12)17/h4-9,15,18H,3H2,1-2H3.
What are the key properties of N-[(2,3-dichlorophenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine?
N-[(2,3-dichlorophenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine has a molecular weight of 295.21 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 106755221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).