N-[(2,6-dichlorophenyl)-(3-ethylphenyl)methyl]ethanamine

C17H19Cl2N — CID 105018508

IUPACN-[(2,6-dichlorophenyl)-(3-ethylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(CC)c1)c1c(Cl)cccc1Cl
InChIInChI=1S/C17H19Cl2N/c1-3-12-7-5-8-13(11-12)17(20-4-2)16-14(18)9-6-10-15(16)19/h5-11,17,20H,3-4H2,1-2H3
InChIKeyZTPVXVYINISMCF-UHFFFAOYSA-N
MW308.25 g/mol
LogP5.25
Rot. Bonds5

About N-[(2,6-dichlorophenyl)-(3-ethylphenyl)methyl]ethanamine

N-[(2,6-dichlorophenyl)-(3-ethylphenyl)methyl]ethanamine (PubChem CID 105018508) has the molecular formula C17H19Cl2N and a molecular weight of 308.25 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)-(3-ethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)-(3-ethylphenyl)methyl]ethanamine
PubChem CID105018508
Molecular FormulaC17H19Cl2N
Molecular Weight308.25 g/mol
Exact Mass307.09
IUPAC NameN-[(2,6-dichlorophenyl)-(3-ethylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(CC)c1)c1c(Cl)cccc1Cl
InChIInChI=1S/C17H19Cl2N/c1-3-12-7-5-8-13(11-12)17(20-4-2)16-14(18)9-6-10-15(16)19/h5-11,17,20H,3-4H2,1-2H3
InChIKeyZTPVXVYINISMCF-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-[(2,6-dichlorophenyl)-(3-propylphenyl)methyl]ethanamine
CID 105050234
1-(2,6-dichlorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018696
N-[(3-chloro-2-methylphenyl)-(3-ethylphenyl)methyl]ethanamine
CID 107102860
N-[(2,6-dichlorophenyl)-(3,4-dichlorophenyl)methyl]ethanamine
CID 43492874
N-[(4-chloro-3-fluorophenyl)-(3-ethylphenyl)methyl]ethanamine
CID 107994577
N-[(2,6-dichlorophenyl)-(4-fluorophenyl)methyl]ethanamine
CID 43488909
N-[(4-ethoxyphenyl)-(3-ethylphenyl)methyl]ethanamine
CID 105018505
[(4-chlorophenyl)-(3-ethylphenyl)methyl]hydrazine
CID 105193218
N-[(3-ethylphenyl)-(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 114031688
N-[(3-bromo-4-methoxyphenyl)-(2,6-dichlorophenyl)methyl]ethanamine
CID 43487810
N-[(4-chloro-3-methylphenyl)-(3-propylphenyl)methyl]ethanamine
CID 105050433
N-[(3-chloro-4-methylphenyl)-(3-propylphenyl)methyl]ethanamine
CID 105050507

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)-(3-ethylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2,6-dichlorophenyl)-(3-ethylphenyl)methyl]ethanamine (CID 105018508) is N-[(2,6-dichlorophenyl)-(3-ethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,6-dichlorophenyl)-(3-ethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2,6-dichlorophenyl)-(3-ethylphenyl)methyl]ethanamine is CCNC(c1cccc(CC)c1)c1c(Cl)cccc1Cl.
What is the InChIKey of N-[(2,6-dichlorophenyl)-(3-ethylphenyl)methyl]ethanamine?
The InChIKey is ZTPVXVYINISMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N/c1-3-12-7-5-8-13(11-12)17(20-4-2)16-14(18)9-6-10-15(16)19/h5-11,17,20H,3-4H2,1-2H3.
What are the key properties of N-[(2,6-dichlorophenyl)-(3-ethylphenyl)methyl]ethanamine?
N-[(2,6-dichlorophenyl)-(3-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-[(2,6-dichlorophenyl)-(3-ethylphenyl)methyl]ethanamine is sourced from PubChem (CID 105018508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).