3-(3-chloro-4-fluorophenyl)-N-methyl-2-(2-methylphenyl)propan-1-amine

C17H19ClFN — CID 103041125

IUPAC3-(3-chloro-4-fluorophenyl)-N-methyl-2-(2-methylphenyl)propan-1-amine
SMILESCNCC(Cc1ccc(F)c(Cl)c1)c1ccccc1C
InChIInChI=1S/C17H19ClFN/c1-12-5-3-4-6-15(12)14(11-20-2)9-13-7-8-17(19)16(18)10-13/h3-8,10,14,20H,9,11H2,1-2H3
InChIKeyFQEGUUGMNNOWBG-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.33
Rot. Bonds5

About 3-(3-chloro-4-fluorophenyl)-N-methyl-2-(2-methylphenyl)propan-1-amine

3-(3-chloro-4-fluorophenyl)-N-methyl-2-(2-methylphenyl)propan-1-amine (PubChem CID 103041125) has the molecular formula C17H19ClFN and a molecular weight of 291.80 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-N-methyl-2-(2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-N-methyl-2-(2-methylphenyl)propan-1-amine
PubChem CID103041125
Molecular FormulaC17H19ClFN
Molecular Weight291.80 g/mol
Exact Mass291.12
IUPAC Name3-(3-chloro-4-fluorophenyl)-N-methyl-2-(2-methylphenyl)propan-1-amine
SMILESCNCC(Cc1ccc(F)c(Cl)c1)c1ccccc1C
InChIInChI=1S/C17H19ClFN/c1-12-5-3-4-6-15(12)14(11-20-2)9-13-7-8-17(19)16(18)10-13/h3-8,10,14,20H,9,11H2,1-2H3
InChIKeyFQEGUUGMNNOWBG-UHFFFAOYSA-N
XLogP4.33
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 ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-4-[3-chloro-2-(2-chlorophenyl)propyl]-1-fluorobenzene
CID 103042096
3-(2,3-difluorophenyl)-N-methyl-2-(2-methylphenyl)propan-1-amine
CID 79421092
3-(3,4-dichlorophenyl)-2-(2-methylphenyl)propan-1-ol
CID 79421828
3-(3-chloro-4-fluorophenyl)-2-(2-chlorophenyl)propan-1-amine
CID 103041153
3-(3,4-dimethylphenyl)-N-ethyl-2-(2-methylphenyl)propan-1-amine
CID 79423679
N-ethyl-3-(3-fluorophenyl)-2-(2-methylphenyl)propan-1-amine
CID 79420915
1-(2-bromophenyl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine
CID 103039915
1-(3-chloro-4-fluorophenyl)-N-methyl-4-(2-methylphenyl)butan-2-amine
CID 103042950
2-(2-fluorophenyl)-N-methyl-3-(2-methylphenyl)propan-1-amine
CID 79439531
2-(3-chloro-4-fluorophenyl)-1-(2-chlorophenyl)ethanol
CID 103038949
2-(4-chloro-3-fluorophenyl)-1-(2-methylphenyl)ethanol
CID 114012545
2-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)-N-ethylpropan-1-amine
CID 103041147

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-N-methyl-2-(2-methylphenyl)propan-1-amine?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-N-methyl-2-(2-methylphenyl)propan-1-amine (CID 103041125) is 3-(3-chloro-4-fluorophenyl)-N-methyl-2-(2-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-N-methyl-2-(2-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-N-methyl-2-(2-methylphenyl)propan-1-amine is CNCC(Cc1ccc(F)c(Cl)c1)c1ccccc1C.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-N-methyl-2-(2-methylphenyl)propan-1-amine?
The InChIKey is FQEGUUGMNNOWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN/c1-12-5-3-4-6-15(12)14(11-20-2)9-13-7-8-17(19)16(18)10-13/h3-8,10,14,20H,9,11H2,1-2H3.
What are the key properties of 3-(3-chloro-4-fluorophenyl)-N-methyl-2-(2-methylphenyl)propan-1-amine?
3-(3-chloro-4-fluorophenyl)-N-methyl-2-(2-methylphenyl)propan-1-amine has a molecular weight of 291.80 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-N-methyl-2-(2-methylphenyl)propan-1-amine is sourced from PubChem (CID 103041125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).