1-(4-chlorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine

C17H19ClFN — CID 60818141

IUPAC1-(4-chlorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
SMILESCCNC(Cc1ccc(Cl)cc1)Cc1ccccc1F
InChIInChI=1S/C17H19ClFN/c1-2-20-16(11-13-7-9-15(18)10-8-13)12-14-5-3-4-6-17(14)19/h3-10,16,20H,2,11-12H2,1H3
InChIKeyPRFFKOMLGCQGKC-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.24
Rot. Bonds6

About 1-(4-chlorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine

1-(4-chlorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine (PubChem CID 60818141) has the molecular formula C17H19ClFN and a molecular weight of 291.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
PubChem CID60818141
Molecular FormulaC17H19ClFN
Molecular Weight291.80 g/mol
Exact Mass291.12
IUPAC Name1-(4-chlorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
SMILESCCNC(Cc1ccc(Cl)cc1)Cc1ccccc1F
InChIInChI=1S/C17H19ClFN/c1-2-20-16(11-13-7-9-15(18)10-8-13)12-14-5-3-4-6-17(14)19/h3-10,16,20H,2,11-12H2,1H3
InChIKeyPRFFKOMLGCQGKC-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-(4-chloro-2-fluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
CID 114855387
[1-(4-chlorophenyl)-3-(2-fluorophenyl)propan-2-yl]hydrazine
CID 105197647
1-(3-chloro-4-fluorophenyl)-N-ethyl-3-(2-methylphenyl)propan-2-amine
CID 103039913
1-(2,4-difluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
CID 62196900
1-(2,3-difluorophenyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine
CID 62605093
1-(2,3-difluorophenyl)-N-ethyl-3-(4-iodophenyl)propan-2-amine
CID 115864310
1-(4-chloro-3-fluorophenyl)-N-ethyl-3-(2-methylphenyl)propan-2-amine
CID 107884603
1-(5-chloro-2-fluorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
CID 103048515
1-(2,6-difluorophenyl)-N-ethyl-3-phenylpropan-2-amine
CID 114931797
N-ethyl-1-(2-fluorophenyl)undecan-2-amine
CID 63416880
N-ethyl-1-(2-fluorophenyl)hex-4-yn-2-amine
CID 62310597
1-(2-bromo-5-fluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
CID 62605376

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine (CID 60818141) is 1-(4-chlorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine is CCNC(Cc1ccc(Cl)cc1)Cc1ccccc1F.
What is the InChIKey of 1-(4-chlorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine?
The InChIKey is PRFFKOMLGCQGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN/c1-2-20-16(11-13-7-9-15(18)10-8-13)12-14-5-3-4-6-17(14)19/h3-10,16,20H,2,11-12H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine?
1-(4-chlorophenyl)-N-ethyl-3-(2-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-(4-chlorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine is sourced from PubChem (CID 60818141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).