N-[(3,5-dichloro-2-pyridinyl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine

C15H14Cl2F2N2 — CID 107513634

IUPACN-[(3,5-dichloro-2-pyridinyl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)c(F)c1F)c1ncc(Cl)cc1Cl
InChIInChI=1S/C15H14Cl2F2N2/c1-3-20-14(15-11(17)6-9(16)7-21-15)10-5-4-8(2)12(18)13(10)19/h4-7,14,20H,3H2,1-2H3
InChIKeyJUUWHGCQSXWUAQ-UHFFFAOYSA-N
MW331.19 g/mol
LogP4.67
Rot. Bonds4

About N-[(3,5-dichloro-2-pyridinyl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine

N-[(3,5-dichloro-2-pyridinyl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine (PubChem CID 107513634) has the molecular formula C15H14Cl2F2N2 and a molecular weight of 331.19 g/mol. Its IUPAC name is N-[(3,5-dichloro-2-pyridinyl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,5-dichloro-2-pyridinyl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine
PubChem CID107513634
Molecular FormulaC15H14Cl2F2N2
Molecular Weight331.19 g/mol
Exact Mass330.05
IUPAC NameN-[(3,5-dichloro-2-pyridinyl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)c(F)c1F)c1ncc(Cl)cc1Cl
InChIInChI=1S/C15H14Cl2F2N2/c1-3-20-14(15-11(17)6-9(16)7-21-15)10-5-4-8(2)12(18)13(10)19/h4-7,14,20H,3H2,1-2H3
InChIKeyJUUWHGCQSXWUAQ-UHFFFAOYSA-N
XLogP4.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.19
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3,5-dichloro-2-pyridinyl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3,5-dichloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 82793264
N-[(3-chloro-5-methylphenyl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine
CID 107516087
1-(3,5-dichloro-2-pyridinyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 79780074
N-[(4-bromo-3-chloro-2-fluorophenyl)-(3,5-dimethyl-2-pyridinyl)methyl]ethanamine
CID 106762929
N-[(3,5-dichloro-2-pyridinyl)-(3-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 79783700
N-[(3,5-dichloro-2-pyridinyl)-pyridin-3-ylmethyl]ethanamine
CID 79780969
1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine
CID 79780970
N-[(3-chlorothiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine
CID 107515360
N-[(2,3-difluoro-4-methylphenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine
CID 107515944
N-[(2-chloro-4-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 62944886
1-(3,5-dichloro-2-pyridinyl)-N-ethylpropan-1-amine
CID 79781049
N-[(2,3-difluoro-4-methylphenyl)-(4-iodophenyl)methyl]ethanamine
CID 107515352

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichloro-2-pyridinyl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(3,5-dichloro-2-pyridinyl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine (CID 107513634) is N-[(3,5-dichloro-2-pyridinyl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3,5-dichloro-2-pyridinyl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3,5-dichloro-2-pyridinyl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine is CCNC(c1ccc(C)c(F)c1F)c1ncc(Cl)cc1Cl.
What is the InChIKey of N-[(3,5-dichloro-2-pyridinyl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine?
The InChIKey is JUUWHGCQSXWUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2F2N2/c1-3-20-14(15-11(17)6-9(16)7-21-15)10-5-4-8(2)12(18)13(10)19/h4-7,14,20H,3H2,1-2H3.
What are the key properties of N-[(3,5-dichloro-2-pyridinyl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine?
N-[(3,5-dichloro-2-pyridinyl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine has a molecular weight of 331.19 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichloro-2-pyridinyl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 107513634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).