2-benzyl-3-(3-chloro-4-fluorophenyl)-N-methylpropan-1-amine

C17H19ClFN — CID 103040979

IUPAC2-benzyl-3-(3-chloro-4-fluorophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1ccccc1)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H19ClFN/c1-20-12-15(9-13-5-3-2-4-6-13)10-14-7-8-17(19)16(18)11-14/h2-8,11,15,20H,9-10,12H2,1H3
InChIKeyQVKAHYDVMOVSCX-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.10
Rot. Bonds6

About 2-benzyl-3-(3-chloro-4-fluorophenyl)-N-methylpropan-1-amine

2-benzyl-3-(3-chloro-4-fluorophenyl)-N-methylpropan-1-amine (PubChem CID 103040979) has the molecular formula C17H19ClFN and a molecular weight of 291.80 g/mol. Its IUPAC name is 2-benzyl-3-(3-chloro-4-fluorophenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-benzyl-3-(3-chloro-4-fluorophenyl)-N-methylpropan-1-amine
PubChem CID103040979
Molecular FormulaC17H19ClFN
Molecular Weight291.80 g/mol
Exact Mass291.12
IUPAC Name2-benzyl-3-(3-chloro-4-fluorophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1ccccc1)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H19ClFN/c1-20-12-15(9-13-5-3-2-4-6-13)10-14-7-8-17(19)16(18)11-14/h2-8,11,15,20H,9-10,12H2,1H3
InChIKeyQVKAHYDVMOVSCX-UHFFFAOYSA-N
XLogP4.10
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 ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-(3-chloro-4-fluorophenyl)-N-methylpropan-1-amine?
The IUPAC name of 2-benzyl-3-(3-chloro-4-fluorophenyl)-N-methylpropan-1-amine (CID 103040979) is 2-benzyl-3-(3-chloro-4-fluorophenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 2-benzyl-3-(3-chloro-4-fluorophenyl)-N-methylpropan-1-amine?
The canonical SMILES for 2-benzyl-3-(3-chloro-4-fluorophenyl)-N-methylpropan-1-amine is CNCC(Cc1ccccc1)Cc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-benzyl-3-(3-chloro-4-fluorophenyl)-N-methylpropan-1-amine?
The InChIKey is QVKAHYDVMOVSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN/c1-20-12-15(9-13-5-3-2-4-6-13)10-14-7-8-17(19)16(18)11-14/h2-8,11,15,20H,9-10,12H2,1H3.
What are the key properties of 2-benzyl-3-(3-chloro-4-fluorophenyl)-N-methylpropan-1-amine?
2-benzyl-3-(3-chloro-4-fluorophenyl)-N-methylpropan-1-amine has a molecular weight of 291.80 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-(3-chloro-4-fluorophenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 103040979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).