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

C17H19Cl2N — CID 43491461

IUPACN-[(3,4-dichlorophenyl)-(4-ethylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(CC)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H19Cl2N/c1-3-12-5-7-13(8-6-12)17(20-4-2)14-9-10-15(18)16(19)11-14/h5-11,17,20H,3-4H2,1-2H3
InChIKeyYRNCYANSMJRCHH-UHFFFAOYSA-N
MW308.25 g/mol
LogP5.25
Rot. Bonds5

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

N-[(3,4-dichlorophenyl)-(4-ethylphenyl)methyl]ethanamine (PubChem CID 43491461) has the molecular formula C17H19Cl2N and a molecular weight of 308.25 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)-(4-ethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)-(4-ethylphenyl)methyl]ethanamine
PubChem CID43491461
Molecular FormulaC17H19Cl2N
Molecular Weight308.25 g/mol
Exact Mass307.09
IUPAC NameN-[(3,4-dichlorophenyl)-(4-ethylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(CC)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H19Cl2N/c1-3-12-5-7-13(8-6-12)17(20-4-2)14-9-10-15(18)16(19)11-14/h5-11,17,20H,3-4H2,1-2H3
InChIKeyYRNCYANSMJRCHH-UHFFFAOYSA-N
XLogP5.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.25
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[bis(4-ethylphenyl)methyl]ethanamine
CID 43491437
N-[(3,4-dichlorophenyl)-(3,5-dichlorophenyl)methyl]ethanamine
CID 43492862
N-[(3,4-dichlorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 43492851
N-[(3,4-dichlorophenyl)-thiophen-3-ylmethyl]ethanamine
CID 43492782
N-[(2,6-dichlorophenyl)-(3,4-dichlorophenyl)methyl]ethanamine
CID 43492874
N-[(3,4-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 43492849
N-[(4-ethylphenyl)-(3-methylphenyl)methyl]ethanamine
CID 43491470
N-[(3,5-dibromophenyl)-(4-ethylphenyl)methyl]ethanamine
CID 107974191
N-[(3-chloro-4-methylphenyl)-(4-propylphenyl)methyl]ethanamine
CID 63508480
N-[(5-bromo-3-pyridinyl)-(3,4-dichlorophenyl)methyl]ethanamine
CID 43492810
N-[(3-bromo-5-methylphenyl)-(3,4-dichlorophenyl)methyl]ethanamine
CID 104851219
N-[(3-chloro-4-methylphenyl)-(4-chloro-3-methylphenyl)methyl]ethanamine
CID 107562052

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)-(4-ethylphenyl)methyl]ethanamine?
The IUPAC name of N-[(3,4-dichlorophenyl)-(4-ethylphenyl)methyl]ethanamine (CID 43491461) is N-[(3,4-dichlorophenyl)-(4-ethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)-(4-ethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3,4-dichlorophenyl)-(4-ethylphenyl)methyl]ethanamine is CCNC(c1ccc(CC)cc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(3,4-dichlorophenyl)-(4-ethylphenyl)methyl]ethanamine?
The InChIKey is YRNCYANSMJRCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N/c1-3-12-5-7-13(8-6-12)17(20-4-2)14-9-10-15(18)16(19)11-14/h5-11,17,20H,3-4H2,1-2H3.
What are the key properties of N-[(3,4-dichlorophenyl)-(4-ethylphenyl)methyl]ethanamine?
N-[(3,4-dichlorophenyl)-(4-ethylphenyl)methyl]ethanamine has a molecular weight of 308.25 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)-(4-ethylphenyl)methyl]ethanamine is sourced from PubChem (CID 43491461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).