N-[2-(4-fluorophenyl)ethyl]-4,4-dimethylpentan-1-amine

C15H24FN — CID 114209362

IUPACN-[2-(4-fluorophenyl)ethyl]-4,4-dimethylpentan-1-amine
SMILESCC(C)(C)CCCNCCc1ccc(F)cc1
InChIInChI=1S/C15H24FN/c1-15(2,3)10-4-11-17-12-9-13-5-7-14(16)8-6-13/h5-8,17H,4,9-12H2,1-3H3
InChIKeyUAENLJMYBSBUIV-UHFFFAOYSA-N
MW237.36 g/mol
LogP3.78
Rot. Bonds6

About N-[2-(4-fluorophenyl)ethyl]-4,4-dimethylpentan-1-amine

N-[2-(4-fluorophenyl)ethyl]-4,4-dimethylpentan-1-amine (PubChem CID 114209362) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-4,4-dimethylpentan-1-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-4,4-dimethylpentan-1-amine
PubChem CID114209362
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-4,4-dimethylpentan-1-amine
SMILESCC(C)(C)CCCNCCc1ccc(F)cc1
InChIInChI=1S/C15H24FN/c1-15(2,3)10-4-11-17-12-9-13-5-7-14(16)8-6-13/h5-8,17H,4,9-12H2,1-3H3
InChIKeyUAENLJMYBSBUIV-UHFFFAOYSA-N
XLogP3.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 53.78
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

N-[2-(4-fluorophenyl)ethyl]-3,3-dimethylbutan-1-amine
CID 60687515
N-[2-(4-fluorophenyl)ethyl]heptan-1-amine
CID 43129180
1-N-[2-(4-fluorophenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222407
N-(4,4-dimethylpentyl)-4-fluoroaniline
CID 69410381
2-(4-fluorophenyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
CID 112588597
N-[2-(4-fluorophenyl)ethyl]-4-methylsulfanylbutan-1-amine
CID 103953532
N-(4,4-dimethylpentyl)-1-(4-fluorophenyl)methanesulfonamide
CID 110421113
N-ethyl-3-(4-fluorophenyl)propan-1-amine
CID 58997646
6-(4-fluorophenyl)-N-propylhexan-1-amine
CID 65308488
5-(4-fluorophenyl)-N-propylpentan-1-amine
CID 65300450
[2-(4-fluorophenyl)ethylamino]methanol
CID 69360802
N-(2-ethylsulfonylethyl)-2-(4-fluorophenyl)ethanamine
CID 43807567

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4,4-dimethylpentan-1-amine?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4,4-dimethylpentan-1-amine (CID 114209362) is N-[2-(4-fluorophenyl)ethyl]-4,4-dimethylpentan-1-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-4,4-dimethylpentan-1-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-4,4-dimethylpentan-1-amine is CC(C)(C)CCCNCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-4,4-dimethylpentan-1-amine?
The InChIKey is UAENLJMYBSBUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-15(2,3)10-4-11-17-12-9-13-5-7-14(16)8-6-13/h5-8,17H,4,9-12H2,1-3H3.
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-4,4-dimethylpentan-1-amine?
N-[2-(4-fluorophenyl)ethyl]-4,4-dimethylpentan-1-amine has a molecular weight of 237.36 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-4,4-dimethylpentan-1-amine is sourced from PubChem (CID 114209362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).