1-(3-chloro-4-methylphenyl)-N-ethyl-2-phenylethanamine

C17H20ClN — CID 55224707

IUPAC1-(3-chloro-4-methylphenyl)-N-ethyl-2-phenylethanamine
SMILESCCNC(Cc1ccccc1)c1ccc(C)c(Cl)c1
InChIInChI=1S/C17H20ClN/c1-3-19-17(11-14-7-5-4-6-8-14)15-10-9-13(2)16(18)12-15/h4-10,12,17,19H,3,11H2,1-2H3
InChIKeyDEAUQIYHFQEONG-UHFFFAOYSA-N
MW273.81 g/mol
LogP4.54
Rot. Bonds5

About 1-(3-chloro-4-methylphenyl)-N-ethyl-2-phenylethanamine

1-(3-chloro-4-methylphenyl)-N-ethyl-2-phenylethanamine (PubChem CID 55224707) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-N-ethyl-2-phenylethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-N-ethyl-2-phenylethanamine
PubChem CID55224707
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC Name1-(3-chloro-4-methylphenyl)-N-ethyl-2-phenylethanamine
SMILESCCNC(Cc1ccccc1)c1ccc(C)c(Cl)c1
InChIInChI=1S/C17H20ClN/c1-3-19-17(11-14-7-5-4-6-8-14)15-10-9-13(2)16(18)12-15/h4-10,12,17,19H,3,11H2,1-2H3
InChIKeyDEAUQIYHFQEONG-UHFFFAOYSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-chloro-4-methylphenyl)-2-phenylethyl]propan-1-amine
CID 63527074
1-(4-bromo-3-chlorophenyl)-N-ethyl-2-phenylethanamine
CID 81296107
1-(3-chloro-4-methylphenyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 55162373
1-(3-chloro-4-methylphenyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 63528444
N-[1-(3-chloro-4-methylphenyl)-2-(3-chlorophenyl)ethyl]propan-1-amine
CID 63526752
1-(3-chloro-4-methylphenyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 63195285
2-(3-bromo-5-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine
CID 105015730
1-(3-chloro-4-methylphenyl)-2-(2-chlorophenyl)sulfanyl-N-ethylethanamine
CID 107560401
2-(3-chlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63412120
N-[1-(3-chloro-4-iodophenyl)-2-phenylethyl]propan-1-amine
CID 103214524
N-[1-(3-chloro-4-methylphenyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 105034419
2-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63415582

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-N-ethyl-2-phenylethanamine?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-N-ethyl-2-phenylethanamine (CID 55224707) is 1-(3-chloro-4-methylphenyl)-N-ethyl-2-phenylethanamine.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-N-ethyl-2-phenylethanamine?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-N-ethyl-2-phenylethanamine is CCNC(Cc1ccccc1)c1ccc(C)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-N-ethyl-2-phenylethanamine?
The InChIKey is DEAUQIYHFQEONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c1-3-19-17(11-14-7-5-4-6-8-14)15-10-9-13(2)16(18)12-15/h4-10,12,17,19H,3,11H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-N-ethyl-2-phenylethanamine?
1-(3-chloro-4-methylphenyl)-N-ethyl-2-phenylethanamine has a molecular weight of 273.81 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-N-ethyl-2-phenylethanamine is sourced from PubChem (CID 55224707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).