N-[(3,4-dichlorophenyl)methyl]-1-(4-ethylphenyl)ethanamine

C17H19Cl2N — CID 43221490

IUPACN-[(3,4-dichlorophenyl)methyl]-1-(4-ethylphenyl)ethanamine
SMILESCCc1ccc(C(C)NCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C17H19Cl2N/c1-3-13-4-7-15(8-5-13)12(2)20-11-14-6-9-16(18)17(19)10-14/h4-10,12,20H,3,11H2,1-2H3
InChIKeyMZXSPBAEEQLVSI-UHFFFAOYSA-N
MW308.25 g/mol
LogP5.41
Rot. Bonds5

About N-[(3,4-dichlorophenyl)methyl]-1-(4-ethylphenyl)ethanamine

N-[(3,4-dichlorophenyl)methyl]-1-(4-ethylphenyl)ethanamine (PubChem CID 43221490) has the molecular formula C17H19Cl2N and a molecular weight of 308.25 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-1-(4-ethylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-1-(4-ethylphenyl)ethanamine
PubChem CID43221490
Molecular FormulaC17H19Cl2N
Molecular Weight308.25 g/mol
Exact Mass307.09
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-1-(4-ethylphenyl)ethanamine
SMILESCCc1ccc(C(C)NCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C17H19Cl2N/c1-3-13-4-7-15(8-5-13)12(2)20-11-14-6-9-16(18)17(19)10-14/h4-10,12,20H,3,11H2,1-2H3
InChIKeyMZXSPBAEEQLVSI-UHFFFAOYSA-N
XLogP5.41
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 ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-chloro-3-fluorophenyl)methyl]-1-(3,4-dichlorophenyl)ethanamine
CID 63420735
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3,4-dichlorophenyl)ethanamine
CID 65022720
(1R)-N-[(4-ethylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81350057
1-(3-bromophenyl)-N-[(3,4-dichlorophenyl)methyl]ethanamine
CID 43426655
(1S)-N-[(3-bromo-4-chlorophenyl)methyl]-1-(4-bromophenyl)ethanamine
CID 83230594
(1R)-N-[(3-chloro-4-fluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81350945
(1R)-N-[(3-bromo-4-chlorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 83230349
[3-[[1-(4-ethylphenyl)ethylamino]methyl]phenyl]methanol
CID 103781733
N-[(4-ethylphenyl)methyl]-1-(4-propylphenyl)ethanamine
CID 106899436
N-[(3,4-dichlorophenyl)methyl]butan-2-amine;hydrochloride
CID 17293997
1-(4-bromophenyl)-N-[(4-ethylphenyl)methyl]ethanamine
CID 60658167
N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 43078764

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-1-(4-ethylphenyl)ethanamine?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-1-(4-ethylphenyl)ethanamine (CID 43221490) is N-[(3,4-dichlorophenyl)methyl]-1-(4-ethylphenyl)ethanamine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-1-(4-ethylphenyl)ethanamine?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-1-(4-ethylphenyl)ethanamine is CCc1ccc(C(C)NCc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-1-(4-ethylphenyl)ethanamine?
The InChIKey is MZXSPBAEEQLVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N/c1-3-13-4-7-15(8-5-13)12(2)20-11-14-6-9-16(18)17(19)10-14/h4-10,12,20H,3,11H2,1-2H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-1-(4-ethylphenyl)ethanamine?
N-[(3,4-dichlorophenyl)methyl]-1-(4-ethylphenyl)ethanamine has a molecular weight of 308.25 g/mol, XLogP of 5.41, 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)methyl]-1-(4-ethylphenyl)ethanamine is sourced from PubChem (CID 43221490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).