N-[(3-fluoro-4-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine

C18H22FNO — CID 59768400

IUPACN-[(3-fluoro-4-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(OCc2ccccc2)c(F)c1
InChIInChI=1S/C18H22FNO/c1-18(2,3)20-12-15-9-10-17(16(19)11-15)21-13-14-7-5-4-6-8-14/h4-11,20H,12-13H2,1-3H3
InChIKeyZFHLNJAAWMCXJS-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.29
Rot. Bonds5

About N-[(3-fluoro-4-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine

N-[(3-fluoro-4-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine (PubChem CID 59768400) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[(3-fluoro-4-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(3-fluoro-4-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine
PubChem CID59768400
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC NameN-[(3-fluoro-4-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(OCc2ccccc2)c(F)c1
InChIInChI=1S/C18H22FNO/c1-18(2,3)20-12-15-9-10-17(16(19)11-15)21-13-14-7-5-4-6-8-14/h4-11,20H,12-13H2,1-3H3
InChIKeyZFHLNJAAWMCXJS-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

1-(3-fluoro-4-phenylmethoxyphenyl)-N-methoxymethanamine
CID 117407186
N-[[3-fluoro-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 107688660
N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 103848215
4-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-2-methylbutan-2-ol
CID 107688569
N-[[3-fluoro-4-(3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 107688358
N-[[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 59768355
N-[[3-fluoro-4-[2-(trifluoromethoxy)ethoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 107688368
2-methyl-N-[(3-phenylmethoxyphenyl)methyl]propan-2-amine
CID 4721452
2-methyl-N-[[4-(phenylmethoxymethyl)phenyl]methyl]propan-2-amine
CID 62446348
1-(3-fluoro-4-phenylmethoxyphenyl)propan-2-amine
CID 23037612
3-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-1,1,1-trifluoropropan-2-ol
CID 107688661
N-[[4-[(Z)-2,3-dichloroprop-2-enoxy]-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 107688427

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(3-fluoro-4-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine (CID 59768400) is N-[(3-fluoro-4-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(3-fluoro-4-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(3-fluoro-4-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ccc(OCc2ccccc2)c(F)c1.
What is the InChIKey of N-[(3-fluoro-4-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine?
The InChIKey is ZFHLNJAAWMCXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-18(2,3)20-12-15-9-10-17(16(19)11-15)21-13-14-7-5-4-6-8-14/h4-11,20H,12-13H2,1-3H3.
What are the key properties of N-[(3-fluoro-4-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine?
N-[(3-fluoro-4-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-4-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 59768400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).