N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine

C18H21ClFN — CID 63449279

IUPACN-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine
SMILESCc1ccc(C(C)NC(C)c2ccc(F)cc2Cl)c(C)c1
InChIInChI=1S/C18H21ClFN/c1-11-5-7-16(12(2)9-11)13(3)21-14(4)17-8-6-15(20)10-18(17)19/h5-10,13-14,21H,1-4H3
InChIKeyAHIUJYAGSJKFLV-UHFFFAOYSA-N
MW305.82 g/mol
LogP5.51
Rot. Bonds4

About N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine

N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine (PubChem CID 63449279) has the molecular formula C18H21ClFN and a molecular weight of 305.82 g/mol. Its IUPAC name is N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine.

Molecular Properties

Compound NameN-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine
PubChem CID63449279
Molecular FormulaC18H21ClFN
Molecular Weight305.82 g/mol
Exact Mass305.13
IUPAC NameN-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine
SMILESCc1ccc(C(C)NC(C)c2ccc(F)cc2Cl)c(C)c1
InChIInChI=1S/C18H21ClFN/c1-11-5-7-16(12(2)9-11)13(3)21-14(4)17-8-6-15(20)10-18(17)19/h5-10,13-14,21H,1-4H3
InChIKeyAHIUJYAGSJKFLV-UHFFFAOYSA-N
XLogP5.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.82
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2,4-dichlorophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine
CID 43105207
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 43766668
2-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methylaniline
CID 43772675
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-phenylethanamine
CID 43755948
(1R)-1-(4-chlorophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]ethanamine
CID 81352684
N-[1-(2,4-dimethylphenyl)ethyl]-5-fluoro-2-methylaniline
CID 43094302
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine
CID 43767407
N-[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]-2-methylpropan-1-amine
CID 93281096
1-(3,4-difluorophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]ethanamine
CID 43680989
(1S)-N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 81367838
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-methoxy-5-methylaniline
CID 43761125
4-bromo-N-[1-(2-chloro-4-fluorophenyl)ethyl]-2,6-dimethylaniline
CID 63449107

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine?
The IUPAC name of N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine (CID 63449279) is N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine.
What is the SMILES notation for N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine?
The canonical SMILES for N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine is Cc1ccc(C(C)NC(C)c2ccc(F)cc2Cl)c(C)c1.
What is the InChIKey of N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine?
The InChIKey is AHIUJYAGSJKFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFN/c1-11-5-7-16(12(2)9-11)13(3)21-14(4)17-8-6-15(20)10-18(17)19/h5-10,13-14,21H,1-4H3.
What are the key properties of N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine?
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine has a molecular weight of 305.82 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine is sourced from PubChem (CID 63449279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).