5-(4-fluoro-3,5-dimethylphenyl)-3,3-dimethyl-N-propylpentan-1-amine

C18H30FN — CID 65308821

IUPAC5-(4-fluoro-3,5-dimethylphenyl)-3,3-dimethyl-N-propylpentan-1-amine
SMILESCCCNCCC(C)(C)CCc1cc(C)c(F)c(C)c1
InChIInChI=1S/C18H30FN/c1-6-10-20-11-9-18(4,5)8-7-16-12-14(2)17(19)15(3)13-16/h12-13,20H,6-11H2,1-5H3
InChIKeyXYYYDVUVZGGJSW-UHFFFAOYSA-N
MW279.44 g/mol
LogP4.79
Rot. Bonds8

About 5-(4-fluoro-3,5-dimethylphenyl)-3,3-dimethyl-N-propylpentan-1-amine

5-(4-fluoro-3,5-dimethylphenyl)-3,3-dimethyl-N-propylpentan-1-amine (PubChem CID 65308821) has the molecular formula C18H30FN and a molecular weight of 279.44 g/mol. Its IUPAC name is 5-(4-fluoro-3,5-dimethylphenyl)-3,3-dimethyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name5-(4-fluoro-3,5-dimethylphenyl)-3,3-dimethyl-N-propylpentan-1-amine
PubChem CID65308821
Molecular FormulaC18H30FN
Molecular Weight279.44 g/mol
Exact Mass279.24
IUPAC Name5-(4-fluoro-3,5-dimethylphenyl)-3,3-dimethyl-N-propylpentan-1-amine
SMILESCCCNCCC(C)(C)CCc1cc(C)c(F)c(C)c1
InChIInChI=1S/C18H30FN/c1-6-10-20-11-9-18(4,5)8-7-16-12-14(2)17(19)15(3)13-16/h12-13,20H,6-11H2,1-5H3
InChIKeyXYYYDVUVZGGJSW-UHFFFAOYSA-N
XLogP4.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.44
LogP ≤ 54.79
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-fluoro-3,5-dimethylphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine
CID 65306223
3,3-dimethyl-N-propyl-5-thiophen-3-ylpentan-1-amine
CID 81022227
5-(5-bromo-4-methylthiophen-2-yl)-3,3-dimethyl-N-propylpentan-1-amine
CID 79990855
3,3-dimethyl-N-propyl-5-(2,4,6-trichlorophenyl)pentan-1-amine
CID 105350355
5-(1,3-dihydro-2-benzofuran-5-yl)-3,3-dimethyl-N-propylpentan-1-amine
CID 65304136
4-(3,4-difluorophenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 65308797
5-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-propan-2-ylpentan-1-amine
CID 79734919
4-(3-bromo-4-fluorophenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 81022999
N-(2-methoxyethyl)-3,3-dimethyl-5-(2,4,6-trimethylphenyl)pentan-1-amine
CID 65304715
3,3-dimethyl-4-(2-methylphenyl)-N-propylbutan-1-amine
CID 81023143
3-(3,5-difluorophenyl)-3-methyl-N-propylbutan-1-amine
CID 81023408
5-(2,6-difluoro-4-methoxyphenyl)-N-ethyl-3,3-dimethylpentan-1-amine
CID 65304274

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-3,5-dimethylphenyl)-3,3-dimethyl-N-propylpentan-1-amine?
The IUPAC name of 5-(4-fluoro-3,5-dimethylphenyl)-3,3-dimethyl-N-propylpentan-1-amine (CID 65308821) is 5-(4-fluoro-3,5-dimethylphenyl)-3,3-dimethyl-N-propylpentan-1-amine.
What is the SMILES notation for 5-(4-fluoro-3,5-dimethylphenyl)-3,3-dimethyl-N-propylpentan-1-amine?
The canonical SMILES for 5-(4-fluoro-3,5-dimethylphenyl)-3,3-dimethyl-N-propylpentan-1-amine is CCCNCCC(C)(C)CCc1cc(C)c(F)c(C)c1.
What is the InChIKey of 5-(4-fluoro-3,5-dimethylphenyl)-3,3-dimethyl-N-propylpentan-1-amine?
The InChIKey is XYYYDVUVZGGJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FN/c1-6-10-20-11-9-18(4,5)8-7-16-12-14(2)17(19)15(3)13-16/h12-13,20H,6-11H2,1-5H3.
What are the key properties of 5-(4-fluoro-3,5-dimethylphenyl)-3,3-dimethyl-N-propylpentan-1-amine?
5-(4-fluoro-3,5-dimethylphenyl)-3,3-dimethyl-N-propylpentan-1-amine has a molecular weight of 279.44 g/mol, XLogP of 4.79, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-3,5-dimethylphenyl)-3,3-dimethyl-N-propylpentan-1-amine is sourced from PubChem (CID 65308821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).