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

C16H26FNO — CID 107688358

IUPACN-[[3-fluoro-4-(3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)CCOc1ccc(CNC(C)(C)C)cc1F
InChIInChI=1S/C16H26FNO/c1-12(2)8-9-19-15-7-6-13(10-14(15)17)11-18-16(3,4)5/h6-7,10,12,18H,8-9,11H2,1-5H3
InChIKeyDCIVXDJYCFPTAY-UHFFFAOYSA-N
MW267.39 g/mol
LogP4.14
Rot. Bonds6

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

N-[[3-fluoro-4-(3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 107688358) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is N-[[3-fluoro-4-(3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-fluoro-4-(3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
PubChem CID107688358
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC NameN-[[3-fluoro-4-(3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)CCOc1ccc(CNC(C)(C)C)cc1F
InChIInChI=1S/C16H26FNO/c1-12(2)8-9-19-15-7-6-13(10-14(15)17)11-18-16(3,4)5/h6-7,10,12,18H,8-9,11H2,1-5H3
InChIKeyDCIVXDJYCFPTAY-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-2-methylbutan-2-ol
CID 107688569
N-[[3-fluoro-4-[2-(trifluoromethoxy)ethoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 107688368
N-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine
CID 107891161
N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 103848215
4-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-2,2-dimethylbutanenitrile
CID 107688351
N-[(3-fluoro-4-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine
CID 59768400
3-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]propane-1,2-diol
CID 107688548
3-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-1,1,1-trifluoropropan-2-ol
CID 107688661
4-[2-fluoro-4-(methylaminomethyl)phenoxy]butan-2-ol
CID 107686561
2-methyl-N-[[6-(3-methylbutoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62289979
N-[[3-fluoro-4-(2-imidazol-1-ylethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 107688455
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-(3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-fluoro-4-(3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine (CID 107688358) is N-[[3-fluoro-4-(3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-fluoro-4-(3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-fluoro-4-(3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine is CC(C)CCOc1ccc(CNC(C)(C)C)cc1F.
What is the InChIKey of N-[[3-fluoro-4-(3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is DCIVXDJYCFPTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-12(2)8-9-19-15-7-6-13(10-14(15)17)11-18-16(3,4)5/h6-7,10,12,18H,8-9,11H2,1-5H3.
What are the key properties of N-[[3-fluoro-4-(3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine?
N-[[3-fluoro-4-(3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 267.39 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107688358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).