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

C14H22FN — CID 60687515

IUPACN-[2-(4-fluorophenyl)ethyl]-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)CCNCCc1ccc(F)cc1
InChIInChI=1S/C14H22FN/c1-14(2,3)9-11-16-10-8-12-4-6-13(15)7-5-12/h4-7,16H,8-11H2,1-3H3
InChIKeyZJBQALYOZWMNTD-UHFFFAOYSA-N
MW223.33 g/mol
LogP3.39
Rot. Bonds5

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

N-[2-(4-fluorophenyl)ethyl]-3,3-dimethylbutan-1-amine (PubChem CID 60687515) has the molecular formula C14H22FN and a molecular weight of 223.33 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-3,3-dimethylbutan-1-amine
PubChem CID60687515
Molecular FormulaC14H22FN
Molecular Weight223.33 g/mol
Exact Mass223.17
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)CCNCCc1ccc(F)cc1
InChIInChI=1S/C14H22FN/c1-14(2,3)9-11-16-10-8-12-4-6-13(15)7-5-12/h4-7,16H,8-11H2,1-3H3
InChIKeyZJBQALYOZWMNTD-UHFFFAOYSA-N
XLogP3.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.33
LogP ≤ 53.39
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]-4,4-dimethylpentan-1-amine
CID 114209362
1-N-[2-(4-fluorophenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222407
2-(4-fluorophenyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
CID 112588597
3,3-dimethyl-N-[2-(4-nitrophenyl)ethyl]butan-1-amine
CID 61221202
4-[2-(3,3-dimethylbutylamino)ethyl]benzenesulfonamide
CID 60687315
N-[2-(4-fluorophenyl)ethyl]-4-methylsulfanylbutan-1-amine
CID 103953532
N-[2-(4-fluorophenyl)ethyl]heptan-1-amine
CID 43129180
N-(3,3-dimethylbutyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine
CID 62555230
[2-(4-fluorophenyl)ethylamino]methanol
CID 69360802
N-(2-ethylsulfonylethyl)-2-(4-fluorophenyl)ethanamine
CID 43807567
N-[2-(3,4-dimethoxyphenyl)ethyl]-3,3-dimethylbutan-1-amine
CID 60689759
5-(4-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)pentan-1-amine
CID 65305104

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3,3-dimethylbutan-1-amine?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3,3-dimethylbutan-1-amine (CID 60687515) is N-[2-(4-fluorophenyl)ethyl]-3,3-dimethylbutan-1-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-3,3-dimethylbutan-1-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-3,3-dimethylbutan-1-amine is CC(C)(C)CCNCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-3,3-dimethylbutan-1-amine?
The InChIKey is ZJBQALYOZWMNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-14(2,3)9-11-16-10-8-12-4-6-13(15)7-5-12/h4-7,16H,8-11H2,1-3H3.
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-3,3-dimethylbutan-1-amine?
N-[2-(4-fluorophenyl)ethyl]-3,3-dimethylbutan-1-amine has a molecular weight of 223.33 g/mol, XLogP of 3.39, 5 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]-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 60687515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).