N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-phenylethanamine

C16H17ClFN — CID 43755948

IUPACN-[1-(2-chloro-4-fluorophenyl)ethyl]-1-phenylethanamine
SMILESCC(NC(C)c1ccc(F)cc1Cl)c1ccccc1
InChIInChI=1S/C16H17ClFN/c1-11(13-6-4-3-5-7-13)19-12(2)15-9-8-14(18)10-16(15)17/h3-12,19H,1-2H3
InChIKeyPROOSPKAXQSQKU-UHFFFAOYSA-N
MW277.77 g/mol
LogP4.89
Rot. Bonds4

About N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-phenylethanamine

N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-phenylethanamine (PubChem CID 43755948) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-phenylethanamine.

Molecular Properties

Compound NameN-[1-(2-chloro-4-fluorophenyl)ethyl]-1-phenylethanamine
PubChem CID43755948
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC NameN-[1-(2-chloro-4-fluorophenyl)ethyl]-1-phenylethanamine
SMILESCC(NC(C)c1ccc(F)cc1Cl)c1ccccc1
InChIInChI=1S/C16H17ClFN/c1-11(13-6-4-3-5-7-13)19-12(2)15-9-8-14(18)10-16(15)17/h3-12,19H,1-2H3
InChIKeyPROOSPKAXQSQKU-UHFFFAOYSA-N
XLogP4.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 43766668
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine
CID 43767407
(1R)-N-[1-(2,4-difluorophenyl)ethyl]-1-phenylethanamine
CID 78956119
(1R)-N-[1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81350627
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-pyridin-3-ylethanamine
CID 43768143
(1S)-N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 81367838
5-fluoro-2-[1-(1-phenylethylamino)ethyl]phenol
CID 55148602
1-(2-chloro-4-fluorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 81401324
4-fluoro-2-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenol
CID 81350470
(1S)-1-(2-chloro-4-fluorophenyl)-N-methyl-1-phenylmethanamine
CID 51694296
2-[1-(2-chloro-4-fluorophenyl)ethylamino]-1-phenylethanol
CID 43776200
(1R)-N-[1-(4-fluorophenyl)ethyl]-1-phenylethanamine
CID 78956090

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-phenylethanamine?
The IUPAC name of N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-phenylethanamine (CID 43755948) is N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-phenylethanamine.
What is the SMILES notation for N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-phenylethanamine?
The canonical SMILES for N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-phenylethanamine is CC(NC(C)c1ccc(F)cc1Cl)c1ccccc1.
What is the InChIKey of N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-phenylethanamine?
The InChIKey is PROOSPKAXQSQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-11(13-6-4-3-5-7-13)19-12(2)15-9-8-14(18)10-16(15)17/h3-12,19H,1-2H3.
What are the key properties of N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-phenylethanamine?
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-phenylethanamine has a molecular weight of 277.77 g/mol, XLogP of 4.89, 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-phenylethanamine is sourced from PubChem (CID 43755948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).