N-tert-butyl-4-(4-fluoro-3-methylphenyl)-2,2-dimethylbutan-1-amine

C17H28FN — CID 79735596

IUPACN-tert-butyl-4-(4-fluoro-3-methylphenyl)-2,2-dimethylbutan-1-amine
SMILESCc1cc(CCC(C)(C)CNC(C)(C)C)ccc1F
InChIInChI=1S/C17H28FN/c1-13-11-14(7-8-15(13)18)9-10-17(5,6)12-19-16(2,3)4/h7-8,11,19H,9-10,12H2,1-6H3
InChIKeyQLONGYYMZAFSDB-UHFFFAOYSA-N
MW265.42 g/mol
LogP4.48
Rot. Bonds5

About N-tert-butyl-4-(4-fluoro-3-methylphenyl)-2,2-dimethylbutan-1-amine

N-tert-butyl-4-(4-fluoro-3-methylphenyl)-2,2-dimethylbutan-1-amine (PubChem CID 79735596) has the molecular formula C17H28FN and a molecular weight of 265.42 g/mol. Its IUPAC name is N-tert-butyl-4-(4-fluoro-3-methylphenyl)-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(4-fluoro-3-methylphenyl)-2,2-dimethylbutan-1-amine
PubChem CID79735596
Molecular FormulaC17H28FN
Molecular Weight265.42 g/mol
Exact Mass265.22
IUPAC NameN-tert-butyl-4-(4-fluoro-3-methylphenyl)-2,2-dimethylbutan-1-amine
SMILESCc1cc(CCC(C)(C)CNC(C)(C)C)ccc1F
InChIInChI=1S/C17H28FN/c1-13-11-14(7-8-15(13)18)9-10-17(5,6)12-19-16(2,3)4/h7-8,11,19H,9-10,12H2,1-6H3
InChIKeyQLONGYYMZAFSDB-UHFFFAOYSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-propan-2-ylpentan-1-amine
CID 79734919
3-N-[2-(4-fluoro-3-methylphenyl)ethyl]-3-methylbutane-1,3-diamine
CID 115134906
N'-[2-(4-fluoro-3-methylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine
CID 115200147
N-[(4-fluoro-3-methylphenyl)methyl]-3-methylpentan-3-amine
CID 115630753
4-(3,4-difluorophenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 65308797
N-tert-butyl-4-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylbutan-1-amine
CID 65308355
2-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpropane-1,2-diamine
CID 115131868
1-(4-fluoro-3-methylphenyl)-4,4-dimethylpentan-3-ol
CID 64514428
N'-[(4-fluoro-3-methylphenyl)methyl]-2,2-dimethylbutane-1,4-diamine
CID 115204862
N-[(4-fluoro-3-methylphenyl)methyl]-N,2,2-trimethylbutane-1,4-diamine
CID 115204487
N'-[2-(4-fluoro-3-methylphenyl)ethyl]methanediamine
CID 115226004
[2-(4-fluoro-3-methylphenyl)ethylamino]methanethiol
CID 115228200

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(4-fluoro-3-methylphenyl)-2,2-dimethylbutan-1-amine?
The IUPAC name of N-tert-butyl-4-(4-fluoro-3-methylphenyl)-2,2-dimethylbutan-1-amine (CID 79735596) is N-tert-butyl-4-(4-fluoro-3-methylphenyl)-2,2-dimethylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-4-(4-fluoro-3-methylphenyl)-2,2-dimethylbutan-1-amine?
The canonical SMILES for N-tert-butyl-4-(4-fluoro-3-methylphenyl)-2,2-dimethylbutan-1-amine is Cc1cc(CCC(C)(C)CNC(C)(C)C)ccc1F.
What is the InChIKey of N-tert-butyl-4-(4-fluoro-3-methylphenyl)-2,2-dimethylbutan-1-amine?
The InChIKey is QLONGYYMZAFSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN/c1-13-11-14(7-8-15(13)18)9-10-17(5,6)12-19-16(2,3)4/h7-8,11,19H,9-10,12H2,1-6H3.
What are the key properties of N-tert-butyl-4-(4-fluoro-3-methylphenyl)-2,2-dimethylbutan-1-amine?
N-tert-butyl-4-(4-fluoro-3-methylphenyl)-2,2-dimethylbutan-1-amine has a molecular weight of 265.42 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(4-fluoro-3-methylphenyl)-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 79735596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).