2-(4-chloro-3-fluorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine

C18H21ClFN — CID 107891438

IUPAC2-(4-chloro-3-fluorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Cl)c(F)c1)c1ccc(C)c(C)c1
InChIInChI=1S/C18H21ClFN/c1-4-21-18(15-7-5-12(2)13(3)9-15)11-14-6-8-16(19)17(20)10-14/h5-10,18,21H,4,11H2,1-3H3
InChIKeyXNIYEWNCKMQLHZ-UHFFFAOYSA-N
MW305.82 g/mol
LogP4.99
Rot. Bonds5

About 2-(4-chloro-3-fluorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine

2-(4-chloro-3-fluorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine (PubChem CID 107891438) has the molecular formula C18H21ClFN and a molecular weight of 305.82 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
PubChem CID107891438
Molecular FormulaC18H21ClFN
Molecular Weight305.82 g/mol
Exact Mass305.13
IUPAC Name2-(4-chloro-3-fluorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Cl)c(F)c1)c1ccc(C)c(C)c1
InChIInChI=1S/C18H21ClFN/c1-4-21-18(15-7-5-12(2)13(3)9-15)11-14-6-8-16(19)17(20)10-14/h5-10,18,21H,4,11H2,1-3H3
InChIKeyXNIYEWNCKMQLHZ-UHFFFAOYSA-N
XLogP4.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.82
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chloro-3-fluorophenyl)-1-(4-chloro-3-methylphenyl)-N-ethylethanamine
CID 107892116
2-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63415582
2-(4-chloro-3-fluorophenyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine
CID 107891773
1-(4-chloro-3-fluorophenyl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 107995692
2-(4-chloro-3-fluorophenyl)-1-(4-chloro-3-methylphenyl)-N-methylethanamine
CID 107892575
2-(3,5-difluorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63416877
1-(3,4-dimethylphenyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 43487935
2-(3-chlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63412120
2-(4-chloro-3-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 107884560
1-(3-bromo-4-methylphenyl)-2-(3,4-difluorophenyl)-N-ethylethanamine
CID 81459580
N-[1-(4-chloro-3-fluorophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 107988849
2-(4-chloro-3-fluorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine
CID 107891735

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine (CID 107891438) is 2-(4-chloro-3-fluorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine is CCNC(Cc1ccc(Cl)c(F)c1)c1ccc(C)c(C)c1.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine?
The InChIKey is XNIYEWNCKMQLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFN/c1-4-21-18(15-7-5-12(2)13(3)9-15)11-14-6-8-16(19)17(20)10-14/h5-10,18,21H,4,11H2,1-3H3.
What are the key properties of 2-(4-chloro-3-fluorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine?
2-(4-chloro-3-fluorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine has a molecular weight of 305.82 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine is sourced from PubChem (CID 107891438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).