2-[(4-chloro-3-fluorophenyl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine

C15H23ClFN — CID 107897588

IUPAC2-[(4-chloro-3-fluorophenyl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine
SMILESCCNCC(C)(Cc1ccc(Cl)c(F)c1)C(C)C
InChIInChI=1S/C15H23ClFN/c1-5-18-10-15(4,11(2)3)9-12-6-7-13(16)14(17)8-12/h6-8,11,18H,5,9-10H2,1-4H3
InChIKeyISYAKBJNVFMDDD-UHFFFAOYSA-N
MW271.81 g/mol
LogP4.29
Rot. Bonds6

About 2-[(4-chloro-3-fluorophenyl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine

2-[(4-chloro-3-fluorophenyl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine (PubChem CID 107897588) has the molecular formula C15H23ClFN and a molecular weight of 271.81 g/mol. Its IUPAC name is 2-[(4-chloro-3-fluorophenyl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-[(4-chloro-3-fluorophenyl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine
PubChem CID107897588
Molecular FormulaC15H23ClFN
Molecular Weight271.81 g/mol
Exact Mass271.15
IUPAC Name2-[(4-chloro-3-fluorophenyl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine
SMILESCCNCC(C)(Cc1ccc(Cl)c(F)c1)C(C)C
InChIInChI=1S/C15H23ClFN/c1-5-18-10-15(4,11(2)3)9-12-6-7-13(16)14(17)8-12/h6-8,11,18H,5,9-10H2,1-4H3
InChIKeyISYAKBJNVFMDDD-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.81
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3,4-dichlorophenyl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine
CID 83159839
2-[(4-chloro-3-fluorophenyl)methyl]-N-ethyl-2-methylbutan-1-amine
CID 114013897
N-[2-[(4-chloro-3-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine
CID 107897591
2-[(4-chloro-3-fluorophenyl)methyl]-2,3-dimethylbutan-1-ol
CID 107895015
2-(2,3-dihydro-1H-inden-5-ylmethyl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 83159396
3-(4-chloro-3-fluorophenoxy)-N-ethyl-2,2-dimethylpropan-1-amine
CID 82727591
2-[(4-chloro-3-fluorophenyl)methyl]-N-ethylpentan-1-amine
CID 107897120
1-chloro-4-ethyl-2-fluorobenzene
CID 18711819
N-[(4-chloro-3-fluorophenyl)methyl]-2-methylpentan-2-amine
CID 115621691
2-[(4-chloro-3-fluorophenyl)methyl]-2-methylbutanenitrile
CID 107898493
1-N-tert-butyl-2-N-[(4-chloro-3-fluorophenyl)methyl]propane-1,2-diamine
CID 107987670
1-chloro-4-ethyl-2-fluorobenzene;ethane
CID 143692245

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-3-fluorophenyl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine?
The IUPAC name of 2-[(4-chloro-3-fluorophenyl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine (CID 107897588) is 2-[(4-chloro-3-fluorophenyl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-[(4-chloro-3-fluorophenyl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine?
The canonical SMILES for 2-[(4-chloro-3-fluorophenyl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine is CCNCC(C)(Cc1ccc(Cl)c(F)c1)C(C)C.
What is the InChIKey of 2-[(4-chloro-3-fluorophenyl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine?
The InChIKey is ISYAKBJNVFMDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClFN/c1-5-18-10-15(4,11(2)3)9-12-6-7-13(16)14(17)8-12/h6-8,11,18H,5,9-10H2,1-4H3.
What are the key properties of 2-[(4-chloro-3-fluorophenyl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine?
2-[(4-chloro-3-fluorophenyl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine has a molecular weight of 271.81 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-3-fluorophenyl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 107897588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).