1-(2-chloro-5-fluorophenyl)-N-ethyl-3-phenylpropan-1-amine

C17H19ClFN — CID 105394782

IUPAC1-(2-chloro-5-fluorophenyl)-N-ethyl-3-phenylpropan-1-amine
SMILESCCNC(CCc1ccccc1)c1cc(F)ccc1Cl
InChIInChI=1S/C17H19ClFN/c1-2-20-17(11-8-13-6-4-3-5-7-13)15-12-14(19)9-10-16(15)18/h3-7,9-10,12,17,20H,2,8,11H2,1H3
InChIKeyUSKUZMTUSSYATI-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.76
Rot. Bonds6

About 1-(2-chloro-5-fluorophenyl)-N-ethyl-3-phenylpropan-1-amine

1-(2-chloro-5-fluorophenyl)-N-ethyl-3-phenylpropan-1-amine (PubChem CID 105394782) has the molecular formula C17H19ClFN and a molecular weight of 291.80 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-N-ethyl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-N-ethyl-3-phenylpropan-1-amine
PubChem CID105394782
Molecular FormulaC17H19ClFN
Molecular Weight291.80 g/mol
Exact Mass291.12
IUPAC Name1-(2-chloro-5-fluorophenyl)-N-ethyl-3-phenylpropan-1-amine
SMILESCCNC(CCc1ccccc1)c1cc(F)ccc1Cl
InChIInChI=1S/C17H19ClFN/c1-2-20-17(11-8-13-6-4-3-5-7-13)15-12-14(19)9-10-16(15)18/h3-7,9-10,12,17,20H,2,8,11H2,1H3
InChIKeyUSKUZMTUSSYATI-UHFFFAOYSA-N
XLogP4.76
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 ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-5-fluorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
CID 105397098
1-(2-chloro-4-fluorophenyl)-3-phenyl-N-propylpropan-1-amine
CID 63420157
1-(2-chloro-5-fluorophenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine
CID 105397390
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 105394794
1-(2-chloro-5-fluorophenyl)-N-ethyl-4-phenylbutan-2-amine
CID 102618741
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-phenylsulfanylethanamine
CID 105395026
1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenyl)-N-ethylethanamine
CID 105394689
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-phenoxyethanamine
CID 105394867
1-(4-fluoro-2-methylphenyl)-3-phenyl-N-propylpropan-1-amine
CID 63417221
1-(2-chloro-5-fluorophenyl)-N-ethyl-3-propoxypropan-1-amine
CID 105396834
1-(2,4-difluoro-5-methylphenyl)-N-ethyl-3-phenylpropan-1-amine
CID 115794160
[1-(2-chloro-4-fluorophenyl)-3-phenylpropyl]hydrazine
CID 105215295

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-N-ethyl-3-phenylpropan-1-amine?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-N-ethyl-3-phenylpropan-1-amine (CID 105394782) is 1-(2-chloro-5-fluorophenyl)-N-ethyl-3-phenylpropan-1-amine.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-N-ethyl-3-phenylpropan-1-amine?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-N-ethyl-3-phenylpropan-1-amine is CCNC(CCc1ccccc1)c1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-N-ethyl-3-phenylpropan-1-amine?
The InChIKey is USKUZMTUSSYATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN/c1-2-20-17(11-8-13-6-4-3-5-7-13)15-12-14(19)9-10-16(15)18/h3-7,9-10,12,17,20H,2,8,11H2,1H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-N-ethyl-3-phenylpropan-1-amine?
1-(2-chloro-5-fluorophenyl)-N-ethyl-3-phenylpropan-1-amine has a molecular weight of 291.80 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-N-ethyl-3-phenylpropan-1-amine is sourced from PubChem (CID 105394782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).