N-[1-(2-fluorophenyl)propan-2-yl]-2,4,4-trimethylpentan-2-amine

C17H28FN — CID 114828923

IUPACN-[1-(2-fluorophenyl)propan-2-yl]-2,4,4-trimethylpentan-2-amine
SMILESCC(Cc1ccccc1F)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C17H28FN/c1-13(11-14-9-7-8-10-15(14)18)19-17(5,6)12-16(2,3)4/h7-10,13,19H,11-12H2,1-6H3
InChIKeyRLBWHUTWDCWGDQ-UHFFFAOYSA-N
MW265.42 g/mol
LogP4.56
Rot. Bonds5

About N-[1-(2-fluorophenyl)propan-2-yl]-2,4,4-trimethylpentan-2-amine

N-[1-(2-fluorophenyl)propan-2-yl]-2,4,4-trimethylpentan-2-amine (PubChem CID 114828923) has the molecular formula C17H28FN and a molecular weight of 265.42 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)propan-2-yl]-2,4,4-trimethylpentan-2-amine.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)propan-2-yl]-2,4,4-trimethylpentan-2-amine
PubChem CID114828923
Molecular FormulaC17H28FN
Molecular Weight265.42 g/mol
Exact Mass265.22
IUPAC NameN-[1-(2-fluorophenyl)propan-2-yl]-2,4,4-trimethylpentan-2-amine
SMILESCC(Cc1ccccc1F)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C17H28FN/c1-13(11-14-9-7-8-10-15(14)18)19-17(5,6)12-16(2,3)4/h7-10,13,19H,11-12H2,1-6H3
InChIKeyRLBWHUTWDCWGDQ-UHFFFAOYSA-N
XLogP4.56
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 ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-fluorophenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride
CID 17331476
2-tert-butyl-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114828604
1-[1-(2-fluorophenyl)propan-2-ylamino]-4,4-dimethylpentan-2-ol
CID 102612767
N-[1-(2-fluorophenyl)propan-2-yl]-2-methoxy-2-methylpropan-1-amine
CID 114830797
N-[1-(2-fluorophenyl)propan-2-yl]acetamide
CID 91692173
1-(2-fluorophenyl)-N-(1-methylsulfanylpropan-2-yl)propan-2-amine
CID 114830832
1-(2-fluorophenyl)-N-prop-2-enylpropan-2-amine
CID 114827813
3-[1-(2-fluorophenyl)propan-2-ylamino]butan-1-ol
CID 115976612
1-(2-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-2-amine
CID 114828278
N-(cyclopropylmethyl)-1-(2-fluorophenyl)propan-2-amine
CID 115607332
2-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]-6-methylaniline
CID 114830872
1-(2-fluorophenyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propan-2-amine
CID 114830149

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)propan-2-yl]-2,4,4-trimethylpentan-2-amine?
The IUPAC name of N-[1-(2-fluorophenyl)propan-2-yl]-2,4,4-trimethylpentan-2-amine (CID 114828923) is N-[1-(2-fluorophenyl)propan-2-yl]-2,4,4-trimethylpentan-2-amine.
What is the SMILES notation for N-[1-(2-fluorophenyl)propan-2-yl]-2,4,4-trimethylpentan-2-amine?
The canonical SMILES for N-[1-(2-fluorophenyl)propan-2-yl]-2,4,4-trimethylpentan-2-amine is CC(Cc1ccccc1F)NC(C)(C)CC(C)(C)C.
What is the InChIKey of N-[1-(2-fluorophenyl)propan-2-yl]-2,4,4-trimethylpentan-2-amine?
The InChIKey is RLBWHUTWDCWGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN/c1-13(11-14-9-7-8-10-15(14)18)19-17(5,6)12-16(2,3)4/h7-10,13,19H,11-12H2,1-6H3.
What are the key properties of N-[1-(2-fluorophenyl)propan-2-yl]-2,4,4-trimethylpentan-2-amine?
N-[1-(2-fluorophenyl)propan-2-yl]-2,4,4-trimethylpentan-2-amine has a molecular weight of 265.42 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)propan-2-yl]-2,4,4-trimethylpentan-2-amine is sourced from PubChem (CID 114828923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).