3-(2,6-dichlorophenyl)-N-ethyl-2-phenylpropan-1-amine

C17H19Cl2N — CID 65429482

IUPAC3-(2,6-dichlorophenyl)-N-ethyl-2-phenylpropan-1-amine
SMILESCCNCC(Cc1c(Cl)cccc1Cl)c1ccccc1
InChIInChI=1S/C17H19Cl2N/c1-2-20-12-14(13-7-4-3-5-8-13)11-15-16(18)9-6-10-17(15)19/h3-10,14,20H,2,11-12H2,1H3
InChIKeyCAQKOWNXMPKXLA-UHFFFAOYSA-N
MW308.25 g/mol
LogP4.93
Rot. Bonds6

About 3-(2,6-dichlorophenyl)-N-ethyl-2-phenylpropan-1-amine

3-(2,6-dichlorophenyl)-N-ethyl-2-phenylpropan-1-amine (PubChem CID 65429482) has the molecular formula C17H19Cl2N and a molecular weight of 308.25 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-N-ethyl-2-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-N-ethyl-2-phenylpropan-1-amine
PubChem CID65429482
Molecular FormulaC17H19Cl2N
Molecular Weight308.25 g/mol
Exact Mass307.09
IUPAC Name3-(2,6-dichlorophenyl)-N-ethyl-2-phenylpropan-1-amine
SMILESCCNCC(Cc1c(Cl)cccc1Cl)c1ccccc1
InChIInChI=1S/C17H19Cl2N/c1-2-20-12-14(13-7-4-3-5-8-13)11-15-16(18)9-6-10-17(15)19/h3-10,14,20H,2,11-12H2,1H3
InChIKeyCAQKOWNXMPKXLA-UHFFFAOYSA-N
XLogP4.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.25
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-chloro-6-fluorophenyl)-N-ethyl-2-phenylbutan-1-amine
CID 81027454
2-(4-chlorophenyl)-3-(2,6-difluorophenyl)-N-ethylpropan-1-amine
CID 114933720
3-(2-chlorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine
CID 79435732
3-(5-chloro-2-fluorophenyl)-N-ethyl-2-phenylpropan-1-amine
CID 103049753
3-(3-chloro-2-fluorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine
CID 102859054
N-ethyl-2-phenyl-3-pyrimidin-5-ylpropan-1-amine
CID 81024667
N-ethyl-2,4-diphenylbutan-1-amine
CID 81024071
2-(2,6-dichlorophenyl)-1-phenylethanamine
CID 55133818
N-ethyl-2-phenyl-3-(2-propylpyrazol-3-yl)propan-1-amine
CID 81024526
3-(3,4-dichlorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine
CID 79422312
N-[(2,6-dichlorophenyl)methyl]ethanamine;hydrochloride
CID 17290765
3-(2-bromophenyl)-2-(4-chlorophenyl)-N-ethylpropan-1-amine
CID 79441626

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-N-ethyl-2-phenylpropan-1-amine?
The IUPAC name of 3-(2,6-dichlorophenyl)-N-ethyl-2-phenylpropan-1-amine (CID 65429482) is 3-(2,6-dichlorophenyl)-N-ethyl-2-phenylpropan-1-amine.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-N-ethyl-2-phenylpropan-1-amine?
The canonical SMILES for 3-(2,6-dichlorophenyl)-N-ethyl-2-phenylpropan-1-amine is CCNCC(Cc1c(Cl)cccc1Cl)c1ccccc1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-N-ethyl-2-phenylpropan-1-amine?
The InChIKey is CAQKOWNXMPKXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N/c1-2-20-12-14(13-7-4-3-5-8-13)11-15-16(18)9-6-10-17(15)19/h3-10,14,20H,2,11-12H2,1H3.
What are the key properties of 3-(2,6-dichlorophenyl)-N-ethyl-2-phenylpropan-1-amine?
3-(2,6-dichlorophenyl)-N-ethyl-2-phenylpropan-1-amine has a molecular weight of 308.25 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-N-ethyl-2-phenylpropan-1-amine is sourced from PubChem (CID 65429482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).