N-[(3,4-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine

C16H16Cl2FN — CID 43492849

IUPACN-[(3,4-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)c(F)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H16Cl2FN/c1-3-20-16(11-6-7-13(17)14(18)8-11)12-5-4-10(2)15(19)9-12/h4-9,16,20H,3H2,1-2H3
InChIKeyNYFLDZULQDPAQS-UHFFFAOYSA-N
MW312.22 g/mol
LogP5.14
Rot. Bonds4

About N-[(3,4-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine

N-[(3,4-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine (PubChem CID 43492849) has the molecular formula C16H16Cl2FN and a molecular weight of 312.22 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
PubChem CID43492849
Molecular FormulaC16H16Cl2FN
Molecular Weight312.22 g/mol
Exact Mass311.06
IUPAC NameN-[(3,4-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)c(F)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H16Cl2FN/c1-3-20-16(11-6-7-13(17)14(18)8-11)12-5-4-10(2)15(19)9-12/h4-9,16,20H,3H2,1-2H3
InChIKeyNYFLDZULQDPAQS-UHFFFAOYSA-N
XLogP5.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.22
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-chloro-3-methylphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 107130379
N-[(3,4-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine
CID 43497580
N-[(3-chloro-4-methylphenyl)-(4-chloro-3-methylphenyl)methyl]ethanamine
CID 107562052
N-[(4-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 43489450
N-[(5-chloro-2-pyridinyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 107129020
N-[(4-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43488972
N-[(3,4-dichlorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 43492851
N-[(3,4-dichlorophenyl)-(4-ethylphenyl)methyl]ethanamine
CID 43491461
N-[(3,4-dichlorophenyl)-(3,5-dichlorophenyl)methyl]ethanamine
CID 43492862
N-[(3-fluoro-4-methylphenyl)-pyrimidin-2-ylmethyl]ethanamine
CID 107128679
N-[(4-bromo-3-chlorophenyl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine
CID 107130155
N-[(4-chloro-3-fluorophenyl)-(3,5-difluorophenyl)methyl]ethanamine
CID 107992930

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(3,4-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine (CID 43492849) is N-[(3,4-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3,4-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine is CCNC(c1ccc(C)c(F)c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(3,4-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine?
The InChIKey is NYFLDZULQDPAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2FN/c1-3-20-16(11-6-7-13(17)14(18)8-11)12-5-4-10(2)15(19)9-12/h4-9,16,20H,3H2,1-2H3.
What are the key properties of N-[(3,4-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine?
N-[(3,4-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine has a molecular weight of 312.22 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 43492849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).