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

C15H23ClFN — CID 83141596

IUPACN-[1-(4-chloro-3-fluorophenyl)ethyl]-2,3,3-trimethylbutan-1-amine
SMILESCC(NCC(C)C(C)(C)C)c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H23ClFN/c1-10(15(3,4)5)9-18-11(2)12-6-7-13(16)14(17)8-12/h6-8,10-11,18H,9H2,1-5H3
InChIKeyVBDQYATUFVZYLC-UHFFFAOYSA-N
MW271.81 g/mol
LogP4.81
Rot. Bonds4

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

N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,3,3-trimethylbutan-1-amine (PubChem CID 83141596) has the molecular formula C15H23ClFN and a molecular weight of 271.81 g/mol. Its IUPAC name is N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,3,3-trimethylbutan-1-amine.

Molecular Properties

Compound NameN-[1-(4-chloro-3-fluorophenyl)ethyl]-2,3,3-trimethylbutan-1-amine
PubChem CID83141596
Molecular FormulaC15H23ClFN
Molecular Weight271.81 g/mol
Exact Mass271.15
IUPAC NameN-[1-(4-chloro-3-fluorophenyl)ethyl]-2,3,3-trimethylbutan-1-amine
SMILESCC(NCC(C)C(C)(C)C)c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H23ClFN/c1-10(15(3,4)5)9-18-11(2)12-6-7-13(16)14(17)8-12/h6-8,10-11,18H,9H2,1-5H3
InChIKeyVBDQYATUFVZYLC-UHFFFAOYSA-N
XLogP4.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.81
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 82993925
N-[1-(3,4-dimethylphenyl)ethyl]-2,3,3-trimethylbutan-1-amine
CID 83143106
1-[1-(4-chloro-3-fluorophenyl)ethylamino]-2,4-dimethylpentan-2-ol
CID 83070022
4-[1-(4-chloro-3-fluorophenyl)ethylamino]-3,3-dimethylbutan-1-ol
CID 113345013
2,3,3-trimethyl-N-(1-naphthalen-2-ylethyl)butan-1-amine
CID 83142738
N-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]hydroxylamine
CID 130054500
N-[1-(4-chloro-3-fluorophenyl)ethyl]propan-2-amine
CID 59146352
N-[1-(4-chloro-3-fluorophenyl)ethyl]decan-1-amine
CID 83059630
N-[1-(4-chloro-3-fluorophenyl)ethyl]but-3-en-1-amine
CID 115901843
2-[1-(4-chloro-3-fluorophenyl)ethylamino]-1-thiophen-3-ylethanol
CID 103881398
(E)-N-[1-(4-chloro-3-fluorophenyl)ethyl]pent-3-en-1-amine
CID 115890259
5-[1-(4-chloro-3-fluorophenyl)ethylamino]pentan-1-ol
CID 103914694

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,3,3-trimethylbutan-1-amine?
The IUPAC name of N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,3,3-trimethylbutan-1-amine (CID 83141596) is N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,3,3-trimethylbutan-1-amine.
What is the SMILES notation for N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,3,3-trimethylbutan-1-amine?
The canonical SMILES for N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,3,3-trimethylbutan-1-amine is CC(NCC(C)C(C)(C)C)c1ccc(Cl)c(F)c1.
What is the InChIKey of N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,3,3-trimethylbutan-1-amine?
The InChIKey is VBDQYATUFVZYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClFN/c1-10(15(3,4)5)9-18-11(2)12-6-7-13(16)14(17)8-12/h6-8,10-11,18H,9H2,1-5H3.
What are the key properties of N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,3,3-trimethylbutan-1-amine?
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,3,3-trimethylbutan-1-amine has a molecular weight of 271.81 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,3,3-trimethylbutan-1-amine is sourced from PubChem (CID 83141596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).