5-(4-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)pentan-1-amine

C17H28FN — CID 65305104

IUPAC5-(4-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)pentan-1-amine
SMILESCC(C)CNCCC(C)(C)CCc1ccc(F)cc1
InChIInChI=1S/C17H28FN/c1-14(2)13-19-12-11-17(3,4)10-9-15-5-7-16(18)8-6-15/h5-8,14,19H,9-13H2,1-4H3
InChIKeyWCLJYDZRXLBKQR-UHFFFAOYSA-N
MW265.42 g/mol
LogP4.42
Rot. Bonds8

About 5-(4-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)pentan-1-amine

5-(4-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)pentan-1-amine (PubChem CID 65305104) has the molecular formula C17H28FN and a molecular weight of 265.42 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)pentan-1-amine
PubChem CID65305104
Molecular FormulaC17H28FN
Molecular Weight265.42 g/mol
Exact Mass265.22
IUPAC Name5-(4-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)pentan-1-amine
SMILESCC(C)CNCCC(C)(C)CCc1ccc(F)cc1
InChIInChI=1S/C17H28FN/c1-14(2)13-19-12-11-17(3,4)10-9-15-5-7-16(18)8-6-15/h5-8,14,19H,9-13H2,1-4H3
InChIKeyWCLJYDZRXLBKQR-UHFFFAOYSA-N
XLogP4.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 54.42
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

4-(4-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81034537
4-(2-bromo-5-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81035051
4-(3-chloro-4-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 103042327
N-[2-(4-fluorophenyl)ethyl]-3,3-dimethylbutan-1-amine
CID 60687515
N,3,3-trimethyl-5-[4-(2-methylpropyl)phenyl]pentan-1-amine
CID 65304916
3-(5-fluoro-2-methylphenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 81035050
3-methyl-1-(2-methylpropylamino)-5-phenylpentan-3-ol
CID 66003057
2-[(4-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 62718470
4-(3-fluoro-4-methoxyphenyl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81034908
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
N-[3-(4-tert-butylphenyl)propyl]-2-methylpropan-1-amine
CID 63498667

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)pentan-1-amine?
The IUPAC name of 5-(4-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)pentan-1-amine (CID 65305104) is 5-(4-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for 5-(4-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)pentan-1-amine is CC(C)CNCCC(C)(C)CCc1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)pentan-1-amine?
The InChIKey is WCLJYDZRXLBKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN/c1-14(2)13-19-12-11-17(3,4)10-9-15-5-7-16(18)8-6-15/h5-8,14,19H,9-13H2,1-4H3.
What are the key properties of 5-(4-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)pentan-1-amine?
5-(4-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)pentan-1-amine has a molecular weight of 265.42 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 65305104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).