3-(2-chlorophenyl)-4-(4-fluorophenyl)pentan-1-amine

C17H19ClFN — CID 57000193

IUPAC3-(2-chlorophenyl)-4-(4-fluorophenyl)pentan-1-amine
SMILESCC(c1ccc(F)cc1)C(CCN)c1ccccc1Cl
InChIInChI=1S/C17H19ClFN/c1-12(13-6-8-14(19)9-7-13)15(10-11-20)16-4-2-3-5-17(16)18/h2-9,12,15H,10-11,20H2,1H3
InChIKeyCKCMSXGVZWIELL-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.72
Rot. Bonds5

About 3-(2-chlorophenyl)-4-(4-fluorophenyl)pentan-1-amine

3-(2-chlorophenyl)-4-(4-fluorophenyl)pentan-1-amine (PubChem CID 57000193) has the molecular formula C17H19ClFN and a molecular weight of 291.80 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-4-(4-fluorophenyl)pentan-1-amine.

Molecular Properties

Compound Name3-(2-chlorophenyl)-4-(4-fluorophenyl)pentan-1-amine
PubChem CID57000193
Molecular FormulaC17H19ClFN
Molecular Weight291.80 g/mol
Exact Mass291.12
IUPAC Name3-(2-chlorophenyl)-4-(4-fluorophenyl)pentan-1-amine
SMILESCC(c1ccc(F)cc1)C(CCN)c1ccccc1Cl
InChIInChI=1S/C17H19ClFN/c1-12(13-6-8-14(19)9-7-13)15(10-11-20)16-4-2-3-5-17(16)18/h2-9,12,15H,10-11,20H2,1H3
InChIKeyCKCMSXGVZWIELL-UHFFFAOYSA-N
XLogP4.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-4-(4-fluorophenyl)pentan-1-amine?
The IUPAC name of 3-(2-chlorophenyl)-4-(4-fluorophenyl)pentan-1-amine (CID 57000193) is 3-(2-chlorophenyl)-4-(4-fluorophenyl)pentan-1-amine.
What is the SMILES notation for 3-(2-chlorophenyl)-4-(4-fluorophenyl)pentan-1-amine?
The canonical SMILES for 3-(2-chlorophenyl)-4-(4-fluorophenyl)pentan-1-amine is CC(c1ccc(F)cc1)C(CCN)c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-4-(4-fluorophenyl)pentan-1-amine?
The InChIKey is CKCMSXGVZWIELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN/c1-12(13-6-8-14(19)9-7-13)15(10-11-20)16-4-2-3-5-17(16)18/h2-9,12,15H,10-11,20H2,1H3.
What are the key properties of 3-(2-chlorophenyl)-4-(4-fluorophenyl)pentan-1-amine?
3-(2-chlorophenyl)-4-(4-fluorophenyl)pentan-1-amine has a molecular weight of 291.80 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-4-(4-fluorophenyl)pentan-1-amine is sourced from PubChem (CID 57000193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).