(1R)-1-(3-chlorophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine

C16H17ClFN — CID 81365988

IUPAC(1R)-1-(3-chlorophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine
SMILESCC(N[C@H](C)c1cccc(Cl)c1)c1ccccc1F
InChIInChI=1S/C16H17ClFN/c1-11(13-6-5-7-14(17)10-13)19-12(2)15-8-3-4-9-16(15)18/h3-12,19H,1-2H3/t11-,12?/m1/s1
InChIKeyLSRZTWVVPBZHKA-JHJMLUEUSA-N
MW277.77 g/mol
LogP4.89
Rot. Bonds4

About (1R)-1-(3-chlorophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine

(1R)-1-(3-chlorophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine (PubChem CID 81365988) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is (1R)-1-(3-chlorophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-chlorophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine
PubChem CID81365988
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC Name(1R)-1-(3-chlorophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine
SMILESCC(N[C@H](C)c1cccc(Cl)c1)c1ccccc1F
InChIInChI=1S/C16H17ClFN/c1-11(13-6-5-7-14(17)10-13)19-12(2)15-8-3-4-9-16(15)18/h3-12,19H,1-2H3/t11-,12?/m1/s1
InChIKeyLSRZTWVVPBZHKA-JHJMLUEUSA-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

(1R)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine
CID 82964670
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530
(1S)-1-(3-chlorophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 81366290
(1S)-1-(3-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine
CID 81381049
(1R)-1-(3-chlorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine
CID 54381200
(1R)-N-[1-(4-chloro-3-fluorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine
CID 83069629
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine
CID 43767407
N-[1-(3-chlorophenyl)ethyl]-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 18086132
(1S)-1-(3-chlorophenyl)-N-[1-(2-ethoxyphenyl)ethyl]ethanamine
CID 81361944
1-(3-chloro-4-fluorophenyl)-N-[1-(2-chlorophenyl)ethyl]ethanamine
CID 43110891
N-[1-(2-chlorophenyl)ethyl]-1-(3,4-difluorophenyl)ethanamine
CID 43080283
N-[1-(2,6-difluorophenyl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 60923909

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-chlorophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine?
The IUPAC name of (1R)-1-(3-chlorophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine (CID 81365988) is (1R)-1-(3-chlorophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine.
What is the SMILES notation for (1R)-1-(3-chlorophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine?
The canonical SMILES for (1R)-1-(3-chlorophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine is CC(N[C@H](C)c1cccc(Cl)c1)c1ccccc1F.
What is the InChIKey of (1R)-1-(3-chlorophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine?
The InChIKey is LSRZTWVVPBZHKA-JHJMLUEUSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-11(13-6-5-7-14(17)10-13)19-12(2)15-8-3-4-9-16(15)18/h3-12,19H,1-2H3/t11-,12?/m1/s1.
What are the key properties of (1R)-1-(3-chlorophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine?
(1R)-1-(3-chlorophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine 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 (1R)-1-(3-chlorophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine is sourced from PubChem (CID 81365988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).