N-[(3-fluoro-2-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine

C18H22FNO — CID 112610717

IUPACN-[(3-fluoro-2-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cccc(F)c1OCc1ccccc1
InChIInChI=1S/C18H22FNO/c1-18(2,3)20-12-15-10-7-11-16(19)17(15)21-13-14-8-5-4-6-9-14/h4-11,20H,12-13H2,1-3H3
InChIKeyVPZSGGIPYWUYQB-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.29
Rot. Bonds5

About N-[(3-fluoro-2-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine

N-[(3-fluoro-2-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine (PubChem CID 112610717) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[(3-fluoro-2-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(3-fluoro-2-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine
PubChem CID112610717
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC NameN-[(3-fluoro-2-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cccc(F)c1OCc1ccccc1
InChIInChI=1S/C18H22FNO/c1-18(2,3)20-12-15-10-7-11-16(19)17(15)21-13-14-8-5-4-6-9-14/h4-11,20H,12-13H2,1-3H3
InChIKeyVPZSGGIPYWUYQB-UHFFFAOYSA-N
XLogP4.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-fluoro-2-(pyridin-4-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 115955206
N-[(5-fluoronaphthalen-1-yl)methyl]-2-methylpropan-2-amine
CID 164935784
N-[(3-fluoro-2-phenylmethoxyphenyl)methyl]-2-methoxyethanamine
CID 112610838
N-[[3-fluoro-2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 112610713
1-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]propan-2-ol
CID 112610710
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 4721447
N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 4721448
N-[[2-[(4-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 115955214
N-[[3-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 115955154
methyl 2-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]acetate
CID 112610729
N-[[2-(2-butoxyethoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 115955145
N-[[3-fluoro-2-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 115955221

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-2-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(3-fluoro-2-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine (CID 112610717) is N-[(3-fluoro-2-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(3-fluoro-2-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(3-fluoro-2-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cccc(F)c1OCc1ccccc1.
What is the InChIKey of N-[(3-fluoro-2-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine?
The InChIKey is VPZSGGIPYWUYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-18(2,3)20-12-15-10-7-11-16(19)17(15)21-13-14-8-5-4-6-9-14/h4-11,20H,12-13H2,1-3H3.
What are the key properties of N-[(3-fluoro-2-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine?
N-[(3-fluoro-2-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine has a molecular weight of 287.38 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-2-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 112610717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).