4-(4-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine

C16H26FN — CID 81034537

IUPAC4-(4-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCCC(C)(C)Cc1ccc(F)cc1
InChIInChI=1S/C16H26FN/c1-13(2)12-18-10-9-16(3,4)11-14-5-7-15(17)8-6-14/h5-8,13,18H,9-12H2,1-4H3
InChIKeyNLRKQPGEAQPDFZ-UHFFFAOYSA-N
MW251.39 g/mol
LogP4.03
Rot. Bonds7

About 4-(4-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine

4-(4-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 81034537) has the molecular formula C16H26FN and a molecular weight of 251.39 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
PubChem CID81034537
Molecular FormulaC16H26FN
Molecular Weight251.39 g/mol
Exact Mass251.20
IUPAC Name4-(4-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCCC(C)(C)Cc1ccc(F)cc1
InChIInChI=1S/C16H26FN/c1-13(2)12-18-10-9-16(3,4)11-14-5-7-15(17)8-6-14/h5-8,13,18H,9-12H2,1-4H3
InChIKeyNLRKQPGEAQPDFZ-UHFFFAOYSA-N
XLogP4.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 54.03
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

5-(4-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)pentan-1-amine
CID 65305104
4-(3-chloro-4-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 103042327
4-(2-bromo-5-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81035051
4-(3-fluoro-4-methoxyphenyl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81034908
2-[(4-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 62718470
1-(2,4-difluorophenyl)-2-methyl-4-(2-methylpropylamino)butan-2-ol
CID 66001676
3-(5-fluoro-2-methylphenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 81035050
2-methyl-4-(2-methylpropylamino)-1-[4-(trifluoromethyl)phenyl]butan-2-ol
CID 66002862
4-(4-fluorophenyl)-3,3-dimethylbutan-1-ol
CID 82112185
N'-[(4-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62413226
3-(2,5-difluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79830832
4-(5-chlorothiophen-2-yl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81034530

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 4-(4-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine (CID 81034537) is 4-(4-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 4-(4-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine is CC(C)CNCCC(C)(C)Cc1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is NLRKQPGEAQPDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN/c1-13(2)12-18-10-9-16(3,4)11-14-5-7-15(17)8-6-14/h5-8,13,18H,9-12H2,1-4H3.
What are the key properties of 4-(4-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine?
4-(4-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 251.39 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 81034537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).