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

C16H26FNO — CID 107891161

IUPACN-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine
SMILESCCCC(C)Oc1ccc(CNC(C)(C)C)cc1F
InChIInChI=1S/C16H26FNO/c1-6-7-12(2)19-15-9-8-13(10-14(15)17)11-18-16(3,4)5/h8-10,12,18H,6-7,11H2,1-5H3
InChIKeyGSZLSLCWBFFSLZ-UHFFFAOYSA-N
MW267.39 g/mol
LogP4.28
Rot. Bonds6

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

N-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine (PubChem CID 107891161) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is N-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine
PubChem CID107891161
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC NameN-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine
SMILESCCCC(C)Oc1ccc(CNC(C)(C)C)cc1F
InChIInChI=1S/C16H26FNO/c1-6-7-12(2)19-15-9-8-13(10-14(15)17)11-18-16(3,4)5/h8-10,12,18H,6-7,11H2,1-5H3
InChIKeyGSZLSLCWBFFSLZ-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-methoxy-4-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine
CID 107890983
N-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]propan-2-amine
CID 107891159
N-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]propan-1-amine
CID 114013330
N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 103848215
N-[[3-fluoro-4-(3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 107688358
N-[(3-fluoro-4-propylsulfanylphenyl)methyl]-2-methylpropan-2-amine
CID 63806767
N-[(4-ethylsulfanyl-3-fluorophenyl)methyl]-2-methylpropan-2-amine
CID 63806230
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
1-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-3-ethoxypropan-2-ol
CID 107688365
N-[[3-fluoro-4-[2-(trifluoromethoxy)ethoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 107688368

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine (CID 107891161) is N-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine is CCCC(C)Oc1ccc(CNC(C)(C)C)cc1F.
What is the InChIKey of N-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine?
The InChIKey is GSZLSLCWBFFSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-6-7-12(2)19-15-9-8-13(10-14(15)17)11-18-16(3,4)5/h8-10,12,18H,6-7,11H2,1-5H3.
What are the key properties of N-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine?
N-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine has a molecular weight of 267.39 g/mol, XLogP of 4.28, 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-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107891161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).