N-[(2,3-dichlorophenyl)methyl]-1-(3-fluorophenyl)ethanamine

C15H14Cl2FN — CID 43080559

IUPACN-[(2,3-dichlorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
SMILESCC(NCc1cccc(Cl)c1Cl)c1cccc(F)c1
InChIInChI=1S/C15H14Cl2FN/c1-10(11-4-2-6-13(18)8-11)19-9-12-5-3-7-14(16)15(12)17/h2-8,10,19H,9H2,1H3
InChIKeyPDGPJZAWQZVIJR-UHFFFAOYSA-N
MW298.19 g/mol
LogP4.98
Rot. Bonds4

About N-[(2,3-dichlorophenyl)methyl]-1-(3-fluorophenyl)ethanamine

N-[(2,3-dichlorophenyl)methyl]-1-(3-fluorophenyl)ethanamine (PubChem CID 43080559) has the molecular formula C15H14Cl2FN and a molecular weight of 298.19 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methyl]-1-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
PubChem CID43080559
Molecular FormulaC15H14Cl2FN
Molecular Weight298.19 g/mol
Exact Mass297.05
IUPAC NameN-[(2,3-dichlorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
SMILESCC(NCc1cccc(Cl)c1Cl)c1cccc(F)c1
InChIInChI=1S/C15H14Cl2FN/c1-10(11-4-2-6-13(18)8-11)19-9-12-5-3-7-14(16)15(12)17/h2-8,10,19H,9H2,1H3
InChIKeyPDGPJZAWQZVIJR-UHFFFAOYSA-N
XLogP4.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.19
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5-chloro-2-fluorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 115761361
N-[(4-bromo-2-chlorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 115598223
(1S)-N-[(2,3-dimethylphenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 81365032
(1S)-1-(4-bromophenyl)-N-[(2,3-dichlorophenyl)methyl]ethanamine
CID 81354018
3-chloro-4-[[1-(3-fluorophenyl)ethylamino]methyl]benzonitrile
CID 102664293
(1S)-N-[(2,3-dichlorophenyl)methyl]-1-pyridin-3-ylethanamine
CID 28655829
(1R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 104930243
2-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]-6-methylphenol
CID 103940654
4-fluoro-2-[[1-(3-fluorophenyl)ethylamino]methyl]phenol
CID 103947979
(1R)-N-[(5-chloro-2-methoxyphenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 81368416
1-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]ethanamine
CID 43178091
N-[(2-chloro-5-nitrophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 43462339

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)methyl]-1-(3-fluorophenyl)ethanamine?
The IUPAC name of N-[(2,3-dichlorophenyl)methyl]-1-(3-fluorophenyl)ethanamine (CID 43080559) is N-[(2,3-dichlorophenyl)methyl]-1-(3-fluorophenyl)ethanamine.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methyl]-1-(3-fluorophenyl)ethanamine?
The canonical SMILES for N-[(2,3-dichlorophenyl)methyl]-1-(3-fluorophenyl)ethanamine is CC(NCc1cccc(Cl)c1Cl)c1cccc(F)c1.
What is the InChIKey of N-[(2,3-dichlorophenyl)methyl]-1-(3-fluorophenyl)ethanamine?
The InChIKey is PDGPJZAWQZVIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FN/c1-10(11-4-2-6-13(18)8-11)19-9-12-5-3-7-14(16)15(12)17/h2-8,10,19H,9H2,1H3.
What are the key properties of N-[(2,3-dichlorophenyl)methyl]-1-(3-fluorophenyl)ethanamine?
N-[(2,3-dichlorophenyl)methyl]-1-(3-fluorophenyl)ethanamine has a molecular weight of 298.19 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)methyl]-1-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 43080559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).