1-(4-chloro-3-fluorophenyl)-3-cyclopropyl-N-methylbutan-2-amine

C14H19ClFN — CID 107891920

IUPAC1-(4-chloro-3-fluorophenyl)-3-cyclopropyl-N-methylbutan-2-amine
SMILESCNC(Cc1ccc(Cl)c(F)c1)C(C)C1CC1
InChIInChI=1S/C14H19ClFN/c1-9(11-4-5-11)14(17-2)8-10-3-6-12(15)13(16)7-10/h3,6-7,9,11,14,17H,4-5,8H2,1-2H3
InChIKeyWXNUCYVMTDJWOI-UHFFFAOYSA-N
MW255.76 g/mol
LogP3.66
Rot. Bonds5

About 1-(4-chloro-3-fluorophenyl)-3-cyclopropyl-N-methylbutan-2-amine

1-(4-chloro-3-fluorophenyl)-3-cyclopropyl-N-methylbutan-2-amine (PubChem CID 107891920) has the molecular formula C14H19ClFN and a molecular weight of 255.76 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-3-cyclopropyl-N-methylbutan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-3-cyclopropyl-N-methylbutan-2-amine
PubChem CID107891920
Molecular FormulaC14H19ClFN
Molecular Weight255.76 g/mol
Exact Mass255.12
IUPAC Name1-(4-chloro-3-fluorophenyl)-3-cyclopropyl-N-methylbutan-2-amine
SMILESCNC(Cc1ccc(Cl)c(F)c1)C(C)C1CC1
InChIInChI=1S/C14H19ClFN/c1-9(11-4-5-11)14(17-2)8-10-3-6-12(15)13(16)7-10/h3,6-7,9,11,14,17H,4-5,8H2,1-2H3
InChIKeyWXNUCYVMTDJWOI-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.76
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-4-fluorophenyl)-3-cyclopropyl-N-propylbutan-2-amine
CID 103043171
3-(4-chloro-3-fluorophenyl)-2-cyclopentyl-N-propan-2-ylpropan-1-amine
CID 107897598
1-(4-chloro-3-fluorophenyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 107884766
2-(3-chloro-4-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 103040140
3-(4-chloro-3-fluorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine
CID 107885188
1-chloro-4-(2-chloro-3-methylbutyl)-2-fluorobenzene
CID 130480157
1-(3-bromo-5-fluorophenyl)-3-cyclopropyl-N-methylbutan-2-amine
CID 105015690
[2-(4-chloro-3-fluorophenyl)-1-(4-methylcyclohexyl)ethyl]hydrazine
CID 114013679
2-(4-chloro-3-fluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylethanamine
CID 107892144
1-(4-chloro-3-fluorophenyl)-3-(3,4-dichlorophenyl)-N-methylpropan-2-amine
CID 107884629
2-(4-chloro-3-fluorophenyl)-1-cyclohexylethanamine
CID 114012687
1-(4-chloro-3-fluorophenyl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 107884509

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-cyclopropyl-N-methylbutan-2-amine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-cyclopropyl-N-methylbutan-2-amine (CID 107891920) is 1-(4-chloro-3-fluorophenyl)-3-cyclopropyl-N-methylbutan-2-amine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-3-cyclopropyl-N-methylbutan-2-amine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-3-cyclopropyl-N-methylbutan-2-amine is CNC(Cc1ccc(Cl)c(F)c1)C(C)C1CC1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-3-cyclopropyl-N-methylbutan-2-amine?
The InChIKey is WXNUCYVMTDJWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN/c1-9(11-4-5-11)14(17-2)8-10-3-6-12(15)13(16)7-10/h3,6-7,9,11,14,17H,4-5,8H2,1-2H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-3-cyclopropyl-N-methylbutan-2-amine?
1-(4-chloro-3-fluorophenyl)-3-cyclopropyl-N-methylbutan-2-amine has a molecular weight of 255.76 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-3-cyclopropyl-N-methylbutan-2-amine is sourced from PubChem (CID 107891920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).