5-(4-chloro-2-fluorophenyl)-N-ethyl-4,4-dimethylpentan-2-amine

C15H23ClFN — CID 114860071

IUPAC5-(4-chloro-2-fluorophenyl)-N-ethyl-4,4-dimethylpentan-2-amine
SMILESCCNC(C)CC(C)(C)Cc1ccc(Cl)cc1F
InChIInChI=1S/C15H23ClFN/c1-5-18-11(2)9-15(3,4)10-12-6-7-13(16)8-14(12)17/h6-8,11,18H,5,9-10H2,1-4H3
InChIKeyKTHCEWISVNKPNX-UHFFFAOYSA-N
MW271.81 g/mol
LogP4.44
Rot. Bonds6

About 5-(4-chloro-2-fluorophenyl)-N-ethyl-4,4-dimethylpentan-2-amine

5-(4-chloro-2-fluorophenyl)-N-ethyl-4,4-dimethylpentan-2-amine (PubChem CID 114860071) has the molecular formula C15H23ClFN and a molecular weight of 271.81 g/mol. Its IUPAC name is 5-(4-chloro-2-fluorophenyl)-N-ethyl-4,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name5-(4-chloro-2-fluorophenyl)-N-ethyl-4,4-dimethylpentan-2-amine
PubChem CID114860071
Molecular FormulaC15H23ClFN
Molecular Weight271.81 g/mol
Exact Mass271.15
IUPAC Name5-(4-chloro-2-fluorophenyl)-N-ethyl-4,4-dimethylpentan-2-amine
SMILESCCNC(C)CC(C)(C)Cc1ccc(Cl)cc1F
InChIInChI=1S/C15H23ClFN/c1-5-18-11(2)9-15(3,4)10-12-6-7-13(16)8-14(12)17/h6-8,11,18H,5,9-10H2,1-4H3
InChIKeyKTHCEWISVNKPNX-UHFFFAOYSA-N
XLogP4.44
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 ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-chloro-2-fluorophenyl)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 114858536
5-(2-chloro-4-methylphenyl)-N-ethyl-4,4-dimethylpentan-2-amine
CID 106870193
N-tert-butyl-4-(4-chloro-2-fluorophenyl)-3,3-dimethylbutan-1-amine
CID 114862692
5-(2-chloro-4-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine
CID 64717449
5-(3,4-dichlorophenyl)-N-ethyl-4,4-dimethylpentan-2-amine
CID 64717640
1-(4-chloro-2-fluorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 114855538
4-(5-chloro-2-fluorophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 103051801
4-chloro-1-(2-ethyl-2-methylbutyl)-2-fluorobenzene
CID 70931596
1-(4-chloro-2-fluorophenyl)-2-methyl-3-(propan-2-ylamino)propan-2-ol
CID 114861726
4-chloro-1-[2-(chloromethyl)-2,3-dimethylbutyl]-2-fluorobenzene
CID 114862097
1-(4-chloro-2-fluorophenyl)-2,5-dimethylhexan-2-ol
CID 114280035
1-[2,2-bis(chloromethyl)-4-methylpentyl]-4-chloro-2-fluorobenzene
CID 114862219

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-fluorophenyl)-N-ethyl-4,4-dimethylpentan-2-amine?
The IUPAC name of 5-(4-chloro-2-fluorophenyl)-N-ethyl-4,4-dimethylpentan-2-amine (CID 114860071) is 5-(4-chloro-2-fluorophenyl)-N-ethyl-4,4-dimethylpentan-2-amine.
What is the SMILES notation for 5-(4-chloro-2-fluorophenyl)-N-ethyl-4,4-dimethylpentan-2-amine?
The canonical SMILES for 5-(4-chloro-2-fluorophenyl)-N-ethyl-4,4-dimethylpentan-2-amine is CCNC(C)CC(C)(C)Cc1ccc(Cl)cc1F.
What is the InChIKey of 5-(4-chloro-2-fluorophenyl)-N-ethyl-4,4-dimethylpentan-2-amine?
The InChIKey is KTHCEWISVNKPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClFN/c1-5-18-11(2)9-15(3,4)10-12-6-7-13(16)8-14(12)17/h6-8,11,18H,5,9-10H2,1-4H3.
What are the key properties of 5-(4-chloro-2-fluorophenyl)-N-ethyl-4,4-dimethylpentan-2-amine?
5-(4-chloro-2-fluorophenyl)-N-ethyl-4,4-dimethylpentan-2-amine has a molecular weight of 271.81 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-fluorophenyl)-N-ethyl-4,4-dimethylpentan-2-amine is sourced from PubChem (CID 114860071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).