3-(2-chloro-3-fluorophenyl)-N,2-dimethyl-1-phenylpropan-1-amine

C17H19ClFN — CID 104845341

IUPAC3-(2-chloro-3-fluorophenyl)-N,2-dimethyl-1-phenylpropan-1-amine
SMILESCNC(c1ccccc1)C(C)Cc1cccc(F)c1Cl
InChIInChI=1S/C17H19ClFN/c1-12(11-14-9-6-10-15(19)16(14)18)17(20-2)13-7-4-3-5-8-13/h3-10,12,17,20H,11H2,1-2H3
InChIKeyMETBNBDWWSHRMQ-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.62
Rot. Bonds5

About 3-(2-chloro-3-fluorophenyl)-N,2-dimethyl-1-phenylpropan-1-amine

3-(2-chloro-3-fluorophenyl)-N,2-dimethyl-1-phenylpropan-1-amine (PubChem CID 104845341) has the molecular formula C17H19ClFN and a molecular weight of 291.80 g/mol. Its IUPAC name is 3-(2-chloro-3-fluorophenyl)-N,2-dimethyl-1-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(2-chloro-3-fluorophenyl)-N,2-dimethyl-1-phenylpropan-1-amine
PubChem CID104845341
Molecular FormulaC17H19ClFN
Molecular Weight291.80 g/mol
Exact Mass291.12
IUPAC Name3-(2-chloro-3-fluorophenyl)-N,2-dimethyl-1-phenylpropan-1-amine
SMILESCNC(c1ccccc1)C(C)Cc1cccc(F)c1Cl
InChIInChI=1S/C17H19ClFN/c1-12(11-14-9-6-10-15(19)16(14)18)17(20-2)13-7-4-3-5-8-13/h3-10,12,17,20H,11H2,1-2H3
InChIKeyMETBNBDWWSHRMQ-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 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 ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-3-fluorophenyl)-N-methyl-1-phenylethanamine
CID 112653601
3-(2,6-dichlorophenyl)-N,2-dimethyl-1-phenylpropan-1-amine
CID 104845376
1-(2-chloro-3-fluorophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 115983710
1-(2-chloro-3-fluorophenyl)-N,4-dimethylpentan-2-amine
CID 112653598
3-(2,3-difluorophenyl)-N-ethyl-2-methyl-1-phenylpropan-1-amine
CID 104845522
1,2-bis(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032290
1-(2-chloro-3-fluorophenyl)-3-(3-chloro-2-fluorophenyl)-N-methylpropan-2-amine
CID 115983977
2-(2-chloro-3-fluorophenyl)-1-(furan-2-yl)-N-methylethanamine
CID 112653682
1-(2-chloro-3-fluorophenyl)-3-(2,6-dichlorophenyl)-N-methylpropan-2-amine
CID 115983713
4-(2-chloro-3-fluorophenyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 112655054
2-(2-chloro-3-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine
CID 107995020
1-(2-chloro-3-fluorophenyl)-N,2-dimethylbutan-1-amine
CID 105017259

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3-fluorophenyl)-N,2-dimethyl-1-phenylpropan-1-amine?
The IUPAC name of 3-(2-chloro-3-fluorophenyl)-N,2-dimethyl-1-phenylpropan-1-amine (CID 104845341) is 3-(2-chloro-3-fluorophenyl)-N,2-dimethyl-1-phenylpropan-1-amine.
What is the SMILES notation for 3-(2-chloro-3-fluorophenyl)-N,2-dimethyl-1-phenylpropan-1-amine?
The canonical SMILES for 3-(2-chloro-3-fluorophenyl)-N,2-dimethyl-1-phenylpropan-1-amine is CNC(c1ccccc1)C(C)Cc1cccc(F)c1Cl.
What is the InChIKey of 3-(2-chloro-3-fluorophenyl)-N,2-dimethyl-1-phenylpropan-1-amine?
The InChIKey is METBNBDWWSHRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN/c1-12(11-14-9-6-10-15(19)16(14)18)17(20-2)13-7-4-3-5-8-13/h3-10,12,17,20H,11H2,1-2H3.
What are the key properties of 3-(2-chloro-3-fluorophenyl)-N,2-dimethyl-1-phenylpropan-1-amine?
3-(2-chloro-3-fluorophenyl)-N,2-dimethyl-1-phenylpropan-1-amine has a molecular weight of 291.80 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3-fluorophenyl)-N,2-dimethyl-1-phenylpropan-1-amine is sourced from PubChem (CID 104845341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).