N-[2-(3-fluoro-4-methylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine

C15H24FNO2 — CID 107170842

IUPACN-[2-(3-fluoro-4-methylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine
SMILESCOCC(CNC(C)(C)C)Oc1ccc(C)c(F)c1
InChIInChI=1S/C15H24FNO2/c1-11-6-7-12(8-14(11)16)19-13(10-18-5)9-17-15(2,3)4/h6-8,13,17H,9-10H2,1-5H3
InChIKeyMTMXZQOOGQKFQJ-UHFFFAOYSA-N
MW269.36 g/mol
LogP2.92
Rot. Bonds6

About N-[2-(3-fluoro-4-methylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine

N-[2-(3-fluoro-4-methylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine (PubChem CID 107170842) has the molecular formula C15H24FNO2 and a molecular weight of 269.36 g/mol. Its IUPAC name is N-[2-(3-fluoro-4-methylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(3-fluoro-4-methylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine
PubChem CID107170842
Molecular FormulaC15H24FNO2
Molecular Weight269.36 g/mol
Exact Mass269.18
IUPAC NameN-[2-(3-fluoro-4-methylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine
SMILESCOCC(CNC(C)(C)C)Oc1ccc(C)c(F)c1
InChIInChI=1S/C15H24FNO2/c1-11-6-7-12(8-14(11)16)19-13(10-18-5)9-17-15(2,3)4/h6-8,13,17H,9-10H2,1-5H3
InChIKeyMTMXZQOOGQKFQJ-UHFFFAOYSA-N
XLogP2.92
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-(3-fluoro-4-methylphenoxy)butan-1-amine
CID 107170874
2-(3-fluoro-4-methylphenoxy)-3-methoxy-N-methylpropan-1-amine
CID 107170775
N-[3-methoxy-2-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpropan-2-amine
CID 103227736
N-(3-methoxy-2-phenoxypropyl)-2-methylpropan-2-amine
CID 103228281
N-[3-methoxy-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]-2-methylpropan-2-amine
CID 103228618
N-tert-butyl-4-(3-fluoro-4-methylphenoxy)pentan-1-amine
CID 107170796
N-tert-butyl-2-(3,4-dimethylphenoxy)pentan-1-amine
CID 83045946
N-[2-(4-butylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine
CID 103228933
N-(3-methoxy-2-pyridin-3-yloxypropyl)-2-methylpropan-2-amine
CID 103228028
2-fluoro-4-(2-methoxyethoxy)-1-methylbenzene
CID 21363868
N-[2-(2-chloro-5-methylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine
CID 103228482
2-(4-bromo-3-fluorophenoxy)-N-ethyl-3-methoxypropan-1-amine
CID 103228797

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoro-4-methylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(3-fluoro-4-methylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine (CID 107170842) is N-[2-(3-fluoro-4-methylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(3-fluoro-4-methylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(3-fluoro-4-methylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine is COCC(CNC(C)(C)C)Oc1ccc(C)c(F)c1.
What is the InChIKey of N-[2-(3-fluoro-4-methylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine?
The InChIKey is MTMXZQOOGQKFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO2/c1-11-6-7-12(8-14(11)16)19-13(10-18-5)9-17-15(2,3)4/h6-8,13,17H,9-10H2,1-5H3.
What are the key properties of N-[2-(3-fluoro-4-methylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine?
N-[2-(3-fluoro-4-methylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine has a molecular weight of 269.36 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoro-4-methylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107170842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).