1-(2-chloro-5-fluorophenyl)-N-methyl-3-(2-methylphenyl)propan-1-amine

C17H19ClFN — CID 105396940

IUPAC1-(2-chloro-5-fluorophenyl)-N-methyl-3-(2-methylphenyl)propan-1-amine
SMILESCNC(CCc1ccccc1C)c1cc(F)ccc1Cl
InChIInChI=1S/C17H19ClFN/c1-12-5-3-4-6-13(12)7-10-17(20-2)15-11-14(19)8-9-16(15)18/h3-6,8-9,11,17,20H,7,10H2,1-2H3
InChIKeyJJHGQMCOYWXMFF-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.68
Rot. Bonds5

About 1-(2-chloro-5-fluorophenyl)-N-methyl-3-(2-methylphenyl)propan-1-amine

1-(2-chloro-5-fluorophenyl)-N-methyl-3-(2-methylphenyl)propan-1-amine (PubChem CID 105396940) has the molecular formula C17H19ClFN and a molecular weight of 291.80 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-N-methyl-3-(2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-N-methyl-3-(2-methylphenyl)propan-1-amine
PubChem CID105396940
Molecular FormulaC17H19ClFN
Molecular Weight291.80 g/mol
Exact Mass291.12
IUPAC Name1-(2-chloro-5-fluorophenyl)-N-methyl-3-(2-methylphenyl)propan-1-amine
SMILESCNC(CCc1ccccc1C)c1cc(F)ccc1Cl
InChIInChI=1S/C17H19ClFN/c1-12-5-3-4-6-13(12)7-10-17(20-2)15-11-14(19)8-9-16(15)18/h3-6,8-9,11,17,20H,7,10H2,1-2H3
InChIKeyJJHGQMCOYWXMFF-UHFFFAOYSA-N
XLogP4.68
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 ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(2-chloro-5-fluorophenyl)-3-(2-methylphenyl)propyl]hydrazine
CID 105398184
1-(2-chloro-5-fluorophenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
CID 105395120
1-(2-chloro-5-fluorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 105397498
2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2-methylphenyl)ethanamine
CID 102618613
1-(2-chloro-5-fluorophenyl)-2-(2-methylphenyl)ethanol
CID 105394441
1-(3-fluoro-4-methylphenyl)-N-methyl-3-(2-methylphenyl)propan-1-amine
CID 107130321
1-(2-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-1-amine
CID 105099934
1-(2-chloro-5-fluorophenyl)-N-ethyl-3-phenylpropan-1-amine
CID 105394782
1-(2-chloro-5-fluorophenyl)-N-methyl-2-methylsulfanylethanamine
CID 105394877
1-(2-chloro-5-fluorophenyl)-1-(2-chloro-3-methylphenyl)-N-methylmethanamine
CID 105397270
[1-(2-chloro-5-fluorophenyl)-3-(4-methylphenyl)propyl]hydrazine
CID 105398187
1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-3-(2-methylphenyl)propan-1-amine
CID 105186017

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-N-methyl-3-(2-methylphenyl)propan-1-amine?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-N-methyl-3-(2-methylphenyl)propan-1-amine (CID 105396940) is 1-(2-chloro-5-fluorophenyl)-N-methyl-3-(2-methylphenyl)propan-1-amine.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-N-methyl-3-(2-methylphenyl)propan-1-amine?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-N-methyl-3-(2-methylphenyl)propan-1-amine is CNC(CCc1ccccc1C)c1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-N-methyl-3-(2-methylphenyl)propan-1-amine?
The InChIKey is JJHGQMCOYWXMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN/c1-12-5-3-4-6-13(12)7-10-17(20-2)15-11-14(19)8-9-16(15)18/h3-6,8-9,11,17,20H,7,10H2,1-2H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-N-methyl-3-(2-methylphenyl)propan-1-amine?
1-(2-chloro-5-fluorophenyl)-N-methyl-3-(2-methylphenyl)propan-1-amine has a molecular weight of 291.80 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-N-methyl-3-(2-methylphenyl)propan-1-amine is sourced from PubChem (CID 105396940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).