N-(2-chloroethyl)-N-[1-(4-fluorophenyl)ethyl]-3,3-diphenylprop-2-en-1-amine

C25H25ClFN — CID 164786145

IUPACN-(2-chloroethyl)-N-[1-(4-fluorophenyl)ethyl]-3,3-diphenylprop-2-en-1-amine
SMILESCC(c1ccc(F)cc1)N(CC=C(c1ccccc1)c1ccccc1)CCCl
InChIInChI=1S/C25H25ClFN/c1-20(21-12-14-24(27)15-13-21)28(19-17-26)18-16-25(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-16,20H,17-19H2,1H3
InChIKeyLUXZRZBCCHAHMP-UHFFFAOYSA-N
MW393.93 g/mol
LogP6.56
Rot. Bonds8

About N-(2-chloroethyl)-N-[1-(4-fluorophenyl)ethyl]-3,3-diphenylprop-2-en-1-amine

N-(2-chloroethyl)-N-[1-(4-fluorophenyl)ethyl]-3,3-diphenylprop-2-en-1-amine (PubChem CID 164786145) has the molecular formula C25H25ClFN and a molecular weight of 393.93 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-[1-(4-fluorophenyl)ethyl]-3,3-diphenylprop-2-en-1-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-[1-(4-fluorophenyl)ethyl]-3,3-diphenylprop-2-en-1-amine
PubChem CID164786145
Molecular FormulaC25H25ClFN
Molecular Weight393.93 g/mol
Exact Mass393.17
IUPAC NameN-(2-chloroethyl)-N-[1-(4-fluorophenyl)ethyl]-3,3-diphenylprop-2-en-1-amine
SMILESCC(c1ccc(F)cc1)N(CC=C(c1ccccc1)c1ccccc1)CCCl
InChIInChI=1S/C25H25ClFN/c1-20(21-12-14-24(27)15-13-21)28(19-17-26)18-16-25(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-16,20H,17-19H2,1H3
InChIKeyLUXZRZBCCHAHMP-UHFFFAOYSA-N
XLogP6.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.93
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-[1-(4-fluorophenyl)ethyl]-3,3-diphenylprop-2-en-1-amine?
The IUPAC name of N-(2-chloroethyl)-N-[1-(4-fluorophenyl)ethyl]-3,3-diphenylprop-2-en-1-amine (CID 164786145) is N-(2-chloroethyl)-N-[1-(4-fluorophenyl)ethyl]-3,3-diphenylprop-2-en-1-amine.
What is the SMILES notation for N-(2-chloroethyl)-N-[1-(4-fluorophenyl)ethyl]-3,3-diphenylprop-2-en-1-amine?
The canonical SMILES for N-(2-chloroethyl)-N-[1-(4-fluorophenyl)ethyl]-3,3-diphenylprop-2-en-1-amine is CC(c1ccc(F)cc1)N(CC=C(c1ccccc1)c1ccccc1)CCCl.
What is the InChIKey of N-(2-chloroethyl)-N-[1-(4-fluorophenyl)ethyl]-3,3-diphenylprop-2-en-1-amine?
The InChIKey is LUXZRZBCCHAHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClFN/c1-20(21-12-14-24(27)15-13-21)28(19-17-26)18-16-25(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-16,20H,17-19H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-[1-(4-fluorophenyl)ethyl]-3,3-diphenylprop-2-en-1-amine?
N-(2-chloroethyl)-N-[1-(4-fluorophenyl)ethyl]-3,3-diphenylprop-2-en-1-amine has a molecular weight of 393.93 g/mol, XLogP of 6.56, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-[1-(4-fluorophenyl)ethyl]-3,3-diphenylprop-2-en-1-amine is sourced from PubChem (CID 164786145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).