N-[1-(2-chlorophenyl)ethyl]-1-(3,4-difluorophenyl)ethanamine

C16H16ClF2N — CID 43080283

IUPACN-[1-(2-chlorophenyl)ethyl]-1-(3,4-difluorophenyl)ethanamine
SMILESCC(NC(C)c1ccccc1Cl)c1ccc(F)c(F)c1
InChIInChI=1S/C16H16ClF2N/c1-10(12-7-8-15(18)16(19)9-12)20-11(2)13-5-3-4-6-14(13)17/h3-11,20H,1-2H3
InChIKeyAPCZNGCRZIFUMQ-UHFFFAOYSA-N
MW295.76 g/mol
LogP5.03
Rot. Bonds4

About N-[1-(2-chlorophenyl)ethyl]-1-(3,4-difluorophenyl)ethanamine

N-[1-(2-chlorophenyl)ethyl]-1-(3,4-difluorophenyl)ethanamine (PubChem CID 43080283) has the molecular formula C16H16ClF2N and a molecular weight of 295.76 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-1-(3,4-difluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-1-(3,4-difluorophenyl)ethanamine
PubChem CID43080283
Molecular FormulaC16H16ClF2N
Molecular Weight295.76 g/mol
Exact Mass295.09
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-1-(3,4-difluorophenyl)ethanamine
SMILESCC(NC(C)c1ccccc1Cl)c1ccc(F)c(F)c1
InChIInChI=1S/C16H16ClF2N/c1-10(12-7-8-15(18)16(19)9-12)20-11(2)13-5-3-4-6-14(13)17/h3-11,20H,1-2H3
InChIKeyAPCZNGCRZIFUMQ-UHFFFAOYSA-N
XLogP5.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.76
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-4-fluorophenyl)-N-[1-(2-chlorophenyl)ethyl]ethanamine
CID 43110891
N-[(1S)-1-(2-chlorophenyl)ethyl]-1-(3-fluoro-4-methylphenyl)ethanamine
CID 81377556
(1R)-1-(4-chlorophenyl)-N-[1-(2-chlorophenyl)ethyl]ethanamine
CID 81355519
(1R)-N-[1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81350627
1-(4-chloro-3-fluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 82888806
(1R)-N-[1-(3,4-difluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81368634
1-(3-chloro-4-fluorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 81388525
(1S)-1-(2-chlorophenyl)-N-[1-(2,6-difluorophenyl)ethyl]ethanamine
CID 81377416
(1R)-1-(3-chlorophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine
CID 81365988
2,6-dichloro-N-[1-(3,4-difluorophenyl)ethyl]aniline
CID 65468567
(1R)-N-[1-(4-chloro-3-fluorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine
CID 83069629
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-phenylethanamine
CID 43755948

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-1-(3,4-difluorophenyl)ethanamine?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-1-(3,4-difluorophenyl)ethanamine (CID 43080283) is N-[1-(2-chlorophenyl)ethyl]-1-(3,4-difluorophenyl)ethanamine.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-1-(3,4-difluorophenyl)ethanamine?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-1-(3,4-difluorophenyl)ethanamine is CC(NC(C)c1ccccc1Cl)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-1-(3,4-difluorophenyl)ethanamine?
The InChIKey is APCZNGCRZIFUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2N/c1-10(12-7-8-15(18)16(19)9-12)20-11(2)13-5-3-4-6-14(13)17/h3-11,20H,1-2H3.
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-1-(3,4-difluorophenyl)ethanamine?
N-[1-(2-chlorophenyl)ethyl]-1-(3,4-difluorophenyl)ethanamine has a molecular weight of 295.76 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-1-(3,4-difluorophenyl)ethanamine is sourced from PubChem (CID 43080283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).