N-[(4-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine

C12H18FN — CID 14599999

IUPACN-[(4-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)CNCc1ccc(F)cc1
InChIInChI=1S/C12H18FN/c1-12(2,3)9-14-8-10-4-6-11(13)7-5-10/h4-7,14H,8-9H2,1-3H3
InChIKeyGQORPIXWVKUTBP-UHFFFAOYSA-N
MW195.28 g/mol
LogP2.96
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine

N-[(4-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine (PubChem CID 14599999) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine
PubChem CID14599999
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC NameN-[(4-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)CNCc1ccc(F)cc1
InChIInChI=1S/C12H18FN/c1-12(2,3)9-14-8-10-4-6-11(13)7-5-10/h4-7,14H,8-9H2,1-3H3
InChIKeyGQORPIXWVKUTBP-UHFFFAOYSA-N
XLogP2.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 61166216
N-[(4-fluorophenyl)methyl]ethanamine
CID 4716481
2,2-dimethyl-N-[(4-methylsulfinylphenyl)methyl]propan-1-amine
CID 115682820
N-[(3-fluoro-4-methoxyphenyl)methyl]-2,2-dimethylpropan-1-amine
CID 61166828
2,2-dimethyl-N-[(4-nitrophenyl)methyl]propan-1-amine
CID 61167196
1-[(4-fluorophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol
CID 111468365
2,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]propan-1-amine
CID 61167785
(1S)-1-(4-fluorophenyl)-2-[(4-fluorophenyl)methylamino]-1-phenylethanol
CID 1470738
1-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82720815
4-fluoro-N-[(4-fluorophenyl)methyl]aniline
CID 1133337
N-[(3-bromo-4-methylphenyl)methyl]-2,2-dimethylpropan-1-amine
CID 105401425
2-[(4-fluorophenyl)methylamino]ethanethiol
CID 83960596

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine (CID 14599999) is N-[(4-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine is CC(C)(C)CNCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine?
The InChIKey is GQORPIXWVKUTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN/c1-12(2,3)9-14-8-10-4-6-11(13)7-5-10/h4-7,14H,8-9H2,1-3H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine?
N-[(4-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine has a molecular weight of 195.28 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 14599999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).