3-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpropan-1-amine

C11H15ClFN — CID 116924706

IUPAC3-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpropan-1-amine
SMILESCNCCCc1cc(F)c(C)cc1Cl
InChIInChI=1S/C11H15ClFN/c1-8-6-10(12)9(7-11(8)13)4-3-5-14-2/h6-7,14H,3-5H2,1-2H3
InChIKeyIGHVOCIPHLWPLM-UHFFFAOYSA-N
MW215.70 g/mol
LogP2.94
Rot. Bonds4

About 3-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpropan-1-amine

3-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpropan-1-amine (PubChem CID 116924706) has the molecular formula C11H15ClFN and a molecular weight of 215.70 g/mol. Its IUPAC name is 3-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpropan-1-amine
PubChem CID116924706
Molecular FormulaC11H15ClFN
Molecular Weight215.70 g/mol
Exact Mass215.09
IUPAC Name3-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpropan-1-amine
SMILESCNCCCc1cc(F)c(C)cc1Cl
InChIInChI=1S/C11H15ClFN/c1-8-6-10(12)9(7-11(8)13)4-3-5-14-2/h6-7,14H,3-5H2,1-2H3
InChIKeyIGHVOCIPHLWPLM-UHFFFAOYSA-N
XLogP2.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.70
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-chloro-5-fluoro-4-methylphenyl)-N-methylbutan-1-amine
CID 116924844
methyl 4-(2-chloro-5-fluoro-4-methylphenyl)butanoate
CID 116927514
1-chloro-4-fluoro-2-(fluoromethyl)-5-methylbenzene
CID 131118728
(2-chloro-5-fluoro-4-methylphenyl)methylhydrazine
CID 116932376
N-[5-(2-chloro-4-fluoro-5-methylphenyl)pentyl]cyclopropanamine
CID 81050602
2-[2-(2-chloro-4,5-difluorophenyl)ethoxy]-N-methylethanamine
CID 107477800
[(2-chloro-5-fluoro-4-methylphenyl)methylamino]methanol
CID 115229083
2-chloro-5-fluoro-N,4-dimethyl-N-[3-(methylamino)propyl]benzamide
CID 117045006
4-(2-chloro-5-fluoro-4-methylphenyl)-N-methylbut-3-yn-1-amine
CID 170464129
5-(4-bromo-5-chloro-2-fluorophenyl)-N-methylpentan-1-amine
CID 105400371
2-(5-fluoro-2-methoxy-4-methylphenyl)-N-methylethanamine
CID 84667680
methyl 2-amino-4-(2-chloro-5-fluoro-4-methylphenyl)butanoate
CID 116851552

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpropan-1-amine?
The IUPAC name of 3-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpropan-1-amine (CID 116924706) is 3-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpropan-1-amine is CNCCCc1cc(F)c(C)cc1Cl.
What is the InChIKey of 3-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpropan-1-amine?
The InChIKey is IGHVOCIPHLWPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN/c1-8-6-10(12)9(7-11(8)13)4-3-5-14-2/h6-7,14H,3-5H2,1-2H3.
What are the key properties of 3-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpropan-1-amine?
3-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpropan-1-amine has a molecular weight of 215.70 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 116924706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).