3-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)-N,N,2,4-tetramethylpent-4-en-1-amine

C22H27ClFN — CID 154062035

IUPAC3-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)-N,N,2,4-tetramethylpent-4-en-1-amine
SMILESCC(=Cc1ccc(F)cc1)C(Cc1ccc(Cl)cc1)C(C)CN(C)C
InChIInChI=1S/C22H27ClFN/c1-16(13-18-7-11-21(24)12-8-18)22(17(2)15-25(3)4)14-19-5-9-20(23)10-6-19/h5-13,17,22H,14-15H2,1-4H3
InChIKeyQIDZCQDWYIZGML-UHFFFAOYSA-N
MW359.92 g/mol
LogP5.94
Rot. Bonds7

About 3-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)-N,N,2,4-tetramethylpent-4-en-1-amine

3-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)-N,N,2,4-tetramethylpent-4-en-1-amine (PubChem CID 154062035) has the molecular formula C22H27ClFN and a molecular weight of 359.92 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)-N,N,2,4-tetramethylpent-4-en-1-amine.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)-N,N,2,4-tetramethylpent-4-en-1-amine
PubChem CID154062035
Molecular FormulaC22H27ClFN
Molecular Weight359.92 g/mol
Exact Mass359.18
IUPAC Name3-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)-N,N,2,4-tetramethylpent-4-en-1-amine
SMILESCC(=Cc1ccc(F)cc1)C(Cc1ccc(Cl)cc1)C(C)CN(C)C
InChIInChI=1S/C22H27ClFN/c1-16(13-18-7-11-21(24)12-8-18)22(17(2)15-25(3)4)14-19-5-9-20(23)10-6-19/h5-13,17,22H,14-15H2,1-4H3
InChIKeyQIDZCQDWYIZGML-UHFFFAOYSA-N
XLogP5.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.92
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)-N,N,2,4-tetramethylpent-4-en-1-amine?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)-N,N,2,4-tetramethylpent-4-en-1-amine (CID 154062035) is 3-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)-N,N,2,4-tetramethylpent-4-en-1-amine.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)-N,N,2,4-tetramethylpent-4-en-1-amine?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)-N,N,2,4-tetramethylpent-4-en-1-amine is CC(=Cc1ccc(F)cc1)C(Cc1ccc(Cl)cc1)C(C)CN(C)C.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)-N,N,2,4-tetramethylpent-4-en-1-amine?
The InChIKey is QIDZCQDWYIZGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClFN/c1-16(13-18-7-11-21(24)12-8-18)22(17(2)15-25(3)4)14-19-5-9-20(23)10-6-19/h5-13,17,22H,14-15H2,1-4H3.
What are the key properties of 3-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)-N,N,2,4-tetramethylpent-4-en-1-amine?
3-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)-N,N,2,4-tetramethylpent-4-en-1-amine has a molecular weight of 359.92 g/mol, XLogP of 5.94, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)-N,N,2,4-tetramethylpent-4-en-1-amine is sourced from PubChem (CID 154062035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).