2-(2-fluoro-3-methylphenoxy)-N-(2-methylpropyl)pentan-1-amine

C16H26FNO — CID 107661313

IUPAC2-(2-fluoro-3-methylphenoxy)-N-(2-methylpropyl)pentan-1-amine
SMILESCCCC(CNCC(C)C)Oc1cccc(C)c1F
InChIInChI=1S/C16H26FNO/c1-5-7-14(11-18-10-12(2)3)19-15-9-6-8-13(4)16(15)17/h6,8-9,12,14,18H,5,7,10-11H2,1-4H3
InChIKeyCNQXTLAZAZEADG-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.93
Rot. Bonds8

About 2-(2-fluoro-3-methylphenoxy)-N-(2-methylpropyl)pentan-1-amine

2-(2-fluoro-3-methylphenoxy)-N-(2-methylpropyl)pentan-1-amine (PubChem CID 107661313) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-(2-fluoro-3-methylphenoxy)-N-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound Name2-(2-fluoro-3-methylphenoxy)-N-(2-methylpropyl)pentan-1-amine
PubChem CID107661313
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC Name2-(2-fluoro-3-methylphenoxy)-N-(2-methylpropyl)pentan-1-amine
SMILESCCCC(CNCC(C)C)Oc1cccc(C)c1F
InChIInChI=1S/C16H26FNO/c1-5-7-14(11-18-10-12(2)3)19-15-9-6-8-13(4)16(15)17/h6,8-9,12,14,18H,5,7,10-11H2,1-4H3
InChIKeyCNQXTLAZAZEADG-UHFFFAOYSA-N
XLogP3.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluoro-3-methylphenoxy)-N-propylpentan-1-amine
CID 107661333
2-(2-bromo-4-fluorophenoxy)-N-(2-methylpropyl)pentan-1-amine
CID 83045564
2-(3-fluoro-4-methylphenoxy)-N-(2-methylpropyl)pentan-1-amine
CID 107170893
N-(2-methylpropyl)-2-[2-[(E)-prop-1-enyl]phenoxy]pentan-1-amine
CID 83044799
N-(2-methylpropyl)-2-quinolin-5-yloxypentan-1-amine
CID 103045732
2-(2-methylphenoxy)-N-propan-2-ylpentan-1-amine
CID 83045581
2-(2,3-dimethylphenoxy)-N-methylpentan-1-amine
CID 83044503
1-(2-fluoro-3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 107657511
N-methyl-2-(2-methylphenoxy)pentan-1-amine
CID 83045023
N-(2-methylpropyl)-2-(2,4,5-trichlorophenoxy)pentan-1-amine
CID 83046652
N-(2-methylpropyl)-2-(4-methylsulfanylphenoxy)pentan-1-amine
CID 83044384
2-(2,3-difluorophenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 63037166

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methylphenoxy)-N-(2-methylpropyl)pentan-1-amine?
The IUPAC name of 2-(2-fluoro-3-methylphenoxy)-N-(2-methylpropyl)pentan-1-amine (CID 107661313) is 2-(2-fluoro-3-methylphenoxy)-N-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for 2-(2-fluoro-3-methylphenoxy)-N-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for 2-(2-fluoro-3-methylphenoxy)-N-(2-methylpropyl)pentan-1-amine is CCCC(CNCC(C)C)Oc1cccc(C)c1F.
What is the InChIKey of 2-(2-fluoro-3-methylphenoxy)-N-(2-methylpropyl)pentan-1-amine?
The InChIKey is CNQXTLAZAZEADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-5-7-14(11-18-10-12(2)3)19-15-9-6-8-13(4)16(15)17/h6,8-9,12,14,18H,5,7,10-11H2,1-4H3.
What are the key properties of 2-(2-fluoro-3-methylphenoxy)-N-(2-methylpropyl)pentan-1-amine?
2-(2-fluoro-3-methylphenoxy)-N-(2-methylpropyl)pentan-1-amine has a molecular weight of 267.39 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-methylphenoxy)-N-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 107661313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).