N-[(3-fluoro-4-methoxyphenyl)methyl]-2,2-dimethylpropan-1-amine

C13H20FNO — CID 61166828

IUPACN-[(3-fluoro-4-methoxyphenyl)methyl]-2,2-dimethylpropan-1-amine
SMILESCOc1ccc(CNCC(C)(C)C)cc1F
InChIInChI=1S/C13H20FNO/c1-13(2,3)9-15-8-10-5-6-12(16-4)11(14)7-10/h5-7,15H,8-9H2,1-4H3
InChIKeyMNNNVIVFOSCZAS-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.97
Rot. Bonds4

About N-[(3-fluoro-4-methoxyphenyl)methyl]-2,2-dimethylpropan-1-amine

N-[(3-fluoro-4-methoxyphenyl)methyl]-2,2-dimethylpropan-1-amine (PubChem CID 61166828) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)methyl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)methyl]-2,2-dimethylpropan-1-amine
PubChem CID61166828
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)methyl]-2,2-dimethylpropan-1-amine
SMILESCOc1ccc(CNCC(C)(C)C)cc1F
InChIInChI=1S/C13H20FNO/c1-13(2,3)9-15-8-10-5-6-12(16-4)11(14)7-10/h5-7,15H,8-9H2,1-4H3
InChIKeyMNNNVIVFOSCZAS-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(3-fluoro-4-methoxyphenyl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine
CID 43090366
2,2-difluoro-3-[(3-fluoro-4-methoxyphenyl)methylamino]propan-1-ol
CID 113462742
5-[(3-fluoro-4-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897619
2-(2,4-difluorophenyl)-1-[(3-fluoro-4-methoxyphenyl)methylamino]propan-2-ol
CID 111334400
N-[(3-fluoro-4-methoxyphenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405486
2,3,4-trifluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline
CID 43090343
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-(trifluoromethyl)aniline
CID 43235500
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylsulfinylethanamine
CID 115632650
1-(3,4-dimethoxyphenyl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine
CID 119113161
6-[(3-fluoro-4-methoxyphenyl)methylamino]-4,4-dimethylhexanoic acid
CID 65287200
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline
CID 61059639
1-(3-fluoro-4-methoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 113252144

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-2,2-dimethylpropan-1-amine?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-2,2-dimethylpropan-1-amine (CID 61166828) is N-[(3-fluoro-4-methoxyphenyl)methyl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)methyl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)methyl]-2,2-dimethylpropan-1-amine is COc1ccc(CNCC(C)(C)C)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)methyl]-2,2-dimethylpropan-1-amine?
The InChIKey is MNNNVIVFOSCZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-13(2,3)9-15-8-10-5-6-12(16-4)11(14)7-10/h5-7,15H,8-9H2,1-4H3.
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)methyl]-2,2-dimethylpropan-1-amine?
N-[(3-fluoro-4-methoxyphenyl)methyl]-2,2-dimethylpropan-1-amine has a molecular weight of 225.31 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)methyl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 61166828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).