1-(3-chlorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine

C17H19ClFN — CID 60819525

IUPAC1-(3-chlorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
SMILESCCNC(Cc1cccc(F)c1)Cc1cccc(Cl)c1
InChIInChI=1S/C17H19ClFN/c1-2-20-17(11-13-5-3-7-15(18)9-13)12-14-6-4-8-16(19)10-14/h3-10,17,20H,2,11-12H2,1H3
InChIKeyIZRNEXBHWRKFMR-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.24
Rot. Bonds6

About 1-(3-chlorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine

1-(3-chlorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine (PubChem CID 60819525) has the molecular formula C17H19ClFN and a molecular weight of 291.80 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
PubChem CID60819525
Molecular FormulaC17H19ClFN
Molecular Weight291.80 g/mol
Exact Mass291.12
IUPAC Name1-(3-chlorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
SMILESCCNC(Cc1cccc(F)c1)Cc1cccc(Cl)c1
InChIInChI=1S/C17H19ClFN/c1-2-20-17(11-13-5-3-7-15(18)9-13)12-14-6-4-8-16(19)10-14/h3-10,17,20H,2,11-12H2,1H3
InChIKeyIZRNEXBHWRKFMR-UHFFFAOYSA-N
XLogP4.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-chloro-2-fluorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
CID 103048515
1-(2-chloro-4-fluorophenyl)-3-(3-chlorophenyl)-N-ethylpropan-2-amine
CID 63411998
1-(3-chlorophenyl)-N-ethyl-3-(5-fluoro-2-methylphenyl)propan-2-amine
CID 105373667
1-(4-chloro-3-fluorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
CID 107884568
1-(3-chlorophenyl)-N-ethyl-3-(3-methylphenyl)propan-2-amine
CID 60819352
1-(3-chlorophenyl)-N-ethyl-4,4,4-trifluorobutan-2-amine
CID 61392785
1-(3-bromo-5-fluorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
CID 79699790
2-N-ethyl-3-(3-fluorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 79093303
1-(3-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine
CID 55095489
N-ethyl-1-(3-fluorophenyl)-3-thiophen-3-ylpropan-2-amine
CID 62602151
N-ethyl-1-(3-fluorophenyl)-3-(furan-3-yl)propan-2-amine
CID 83175905
N-ethyl-1-(3-fluorophenyl)-4-methylhexan-2-amine
CID 62602319

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine (CID 60819525) is 1-(3-chlorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine is CCNC(Cc1cccc(F)c1)Cc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine?
The InChIKey is IZRNEXBHWRKFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN/c1-2-20-17(11-13-5-3-7-15(18)9-13)12-14-6-4-8-16(19)10-14/h3-10,17,20H,2,11-12H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine?
1-(3-chlorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine has a molecular weight of 291.80 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine is sourced from PubChem (CID 60819525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).