N-[(5-fluoro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine

C12H18FNO — CID 82126804

IUPACN-[(5-fluoro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine
SMILESCOc1ccc(F)cc1CNC(C)(C)C
InChIInChI=1S/C12H18FNO/c1-12(2,3)14-8-9-7-10(13)5-6-11(9)15-4/h5-7,14H,8H2,1-4H3
InChIKeyMEFHJMFLWPXJKX-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.72
Rot. Bonds3

About N-[(5-fluoro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine

N-[(5-fluoro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine (PubChem CID 82126804) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is N-[(5-fluoro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine
PubChem CID82126804
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC NameN-[(5-fluoro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine
SMILESCOc1ccc(F)cc1CNC(C)(C)C
InChIInChI=1S/C12H18FNO/c1-12(2,3)14-8-9-7-10(13)5-6-11(9)15-4/h5-7,14H,8H2,1-4H3
InChIKeyMEFHJMFLWPXJKX-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-fluoro-2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 107696624
N-[[2-(cyclopropylmethoxy)-5-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 107696527
N-[[2-(3-ethoxypropoxy)-5-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 107696639
N-[[5-fluoro-2-(3-methylsulfanylpropoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 107696513
4-fluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]aniline
CID 82131275
3-[2-[(tert-butylamino)methyl]-4-fluorophenoxy]-2-methylpropan-1-ol
CID 107696645
N-[[5-fluoro-2-(3-iodophenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63552758
N-[[5-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 107696673
2-[(5-fluoro-2-methoxyphenyl)methylamino]acetonitrile
CID 115130950
N-[[5-fluoro-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 107696647
2-[2-[(tert-butylamino)methyl]-4-fluorophenoxy]-N,N-dimethylpropanamide
CID 107696657
4-fluoro-2-N-[(5-fluoro-2-methoxyphenyl)methyl]benzene-1,2-diamine
CID 115124144

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(5-fluoro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine (CID 82126804) is N-[(5-fluoro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(5-fluoro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(5-fluoro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine is COc1ccc(F)cc1CNC(C)(C)C.
What is the InChIKey of N-[(5-fluoro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine?
The InChIKey is MEFHJMFLWPXJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-12(2,3)14-8-9-7-10(13)5-6-11(9)15-4/h5-7,14H,8H2,1-4H3.
What are the key properties of N-[(5-fluoro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine?
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine has a molecular weight of 211.28 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 82126804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).