4-(4-fluoro-3,5-dimethylphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine

C17H28FN — CID 65306223

IUPAC4-(4-fluoro-3,5-dimethylphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine
SMILESCc1cc(CCC(C)(C)CNC(C)C)cc(C)c1F
InChIInChI=1S/C17H28FN/c1-12(2)19-11-17(5,6)8-7-15-9-13(3)16(18)14(4)10-15/h9-10,12,19H,7-8,11H2,1-6H3
InChIKeyCNAVVHOHTNFQBJ-UHFFFAOYSA-N
MW265.42 g/mol
LogP4.40
Rot. Bonds6

About 4-(4-fluoro-3,5-dimethylphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine

4-(4-fluoro-3,5-dimethylphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine (PubChem CID 65306223) has the molecular formula C17H28FN and a molecular weight of 265.42 g/mol. Its IUPAC name is 4-(4-fluoro-3,5-dimethylphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-(4-fluoro-3,5-dimethylphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine
PubChem CID65306223
Molecular FormulaC17H28FN
Molecular Weight265.42 g/mol
Exact Mass265.22
IUPAC Name4-(4-fluoro-3,5-dimethylphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine
SMILESCc1cc(CCC(C)(C)CNC(C)C)cc(C)c1F
InChIInChI=1S/C17H28FN/c1-12(2)19-11-17(5,6)8-7-15-9-13(3)16(18)14(4)10-15/h9-10,12,19H,7-8,11H2,1-6H3
InChIKeyCNAVVHOHTNFQBJ-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-N-propan-2-yl-4-(2,4,6-trimethylphenyl)butan-1-amine
CID 65308686
2,2-dimethyl-4-phenyl-N-propan-2-ylbutan-1-amine
CID 65308891
5-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-propan-2-ylpentan-1-amine
CID 79734919
5-(4-fluoro-3,5-dimethylphenyl)-3,3-dimethyl-N-propylpentan-1-amine
CID 65308821
4-(2-chloro-4,5-dimethylphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine
CID 115485086
3-(3,4-dimethylphenyl)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 62723735
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine
CID 65308436
4-(5-bromo-4-fluoro-2-methoxyphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine
CID 103396834
4-(2-fluoro-4-methoxyphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine
CID 65306008
4-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine
CID 65306595
N-tert-butyl-4-(4-fluoro-3-methylphenyl)-2,2-dimethylbutan-1-amine
CID 79735596
5-(4-fluoro-2,6-dimethylphenyl)-3,3-dimethyl-N-propan-2-ylpentan-1-amine
CID 106880149

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3,5-dimethylphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 4-(4-fluoro-3,5-dimethylphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine (CID 65306223) is 4-(4-fluoro-3,5-dimethylphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 4-(4-fluoro-3,5-dimethylphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 4-(4-fluoro-3,5-dimethylphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine is Cc1cc(CCC(C)(C)CNC(C)C)cc(C)c1F.
What is the InChIKey of 4-(4-fluoro-3,5-dimethylphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine?
The InChIKey is CNAVVHOHTNFQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN/c1-12(2)19-11-17(5,6)8-7-15-9-13(3)16(18)14(4)10-15/h9-10,12,19H,7-8,11H2,1-6H3.
What are the key properties of 4-(4-fluoro-3,5-dimethylphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine?
4-(4-fluoro-3,5-dimethylphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine has a molecular weight of 265.42 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-3,5-dimethylphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 65306223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).