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

C12H18FN — CID 61168585

IUPACN-[(2-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)CNCc1ccccc1F
InChIInChI=1S/C12H18FN/c1-12(2,3)9-14-8-10-6-4-5-7-11(10)13/h4-7,14H,8-9H2,1-3H3
InChIKeyQGPGZBVAIZSVSM-UHFFFAOYSA-N
MW195.28 g/mol
LogP2.96
Rot. Bonds3

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

N-[(2-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine (PubChem CID 61168585) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine
PubChem CID61168585
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC NameN-[(2-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)CNCc1ccccc1F
InChIInChI=1S/C12H18FN/c1-12(2,3)9-14-8-10-6-4-5-7-11(10)13/h4-7,14H,8-9H2,1-3H3
InChIKeyQGPGZBVAIZSVSM-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

N-[(2-fluoro-5-methylphenyl)methyl]-2,2-dimethylpropan-1-amine
CID 103674230
2-ethyl-N-[(2-fluorophenyl)methyl]-2-methylsulfanylbutan-1-amine
CID 103702098
N-(2,2-dimethylpropyl)-2-(2-fluorophenyl)acetamide
CID 110472861
N-[(2-fluorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 28643365
3-ethyl-3-[[(2-fluorophenyl)methylamino]methyl]pentan-1-ol
CID 111498765
[(2-fluorophenyl)methylamino]methanethiol
CID 115227992
N-ethyl-N'-[(2-fluorophenyl)methyl]ethane-1,2-diamine
CID 83962888
2-[(2-fluorophenyl)methylamino]acetonitrile
CID 28582566
N-[(2-fluorophenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride
CID 17331476
3-(2-fluorophenyl)-N,2,2-trimethylpropan-1-amine
CID 62724113
4-[(2-fluorophenyl)methylamino]-2-phenylbutan-2-ol
CID 57153727
4-[(2,2-dimethylpropylamino)methyl]-3-fluorobenzonitrile
CID 61167615

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine (CID 61168585) is N-[(2-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine is CC(C)(C)CNCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine?
The InChIKey is QGPGZBVAIZSVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN/c1-12(2,3)9-14-8-10-6-4-5-7-11(10)13/h4-7,14H,8-9H2,1-3H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine?
N-[(2-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-[(2-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 61168585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).