1-(2-methoxyphenoxy)-4,4-dimethylpentan-2-amine

C14H23NO2 — CID 117241707

IUPAC1-(2-methoxyphenoxy)-4,4-dimethylpentan-2-amine
SMILESCOc1ccccc1OCC(N)CC(C)(C)C
InChIInChI=1S/C14H23NO2/c1-14(2,3)9-11(15)10-17-13-8-6-5-7-12(13)16-4/h5-8,11H,9-10,15H2,1-4H3
InChIKeyMNCVYWFKASWFHN-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.84
Rot. Bonds5

About 1-(2-methoxyphenoxy)-4,4-dimethylpentan-2-amine

1-(2-methoxyphenoxy)-4,4-dimethylpentan-2-amine (PubChem CID 117241707) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-(2-methoxyphenoxy)-4,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-(2-methoxyphenoxy)-4,4-dimethylpentan-2-amine
PubChem CID117241707
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-(2-methoxyphenoxy)-4,4-dimethylpentan-2-amine
SMILESCOc1ccccc1OCC(N)CC(C)(C)C
InChIInChI=1S/C14H23NO2/c1-14(2,3)9-11(15)10-17-13-8-6-5-7-12(13)16-4/h5-8,11H,9-10,15H2,1-4H3
InChIKeyMNCVYWFKASWFHN-UHFFFAOYSA-N
XLogP2.84
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-amino-4,4-dimethylpentoxy)phenol
CID 117241706
4,4-dimethyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine
CID 117241683
(2S)-1-(2-methoxyphenoxy)-3-methylbutan-2-amine
CID 39110010
1-(2-methoxyphenoxy)propan-2-ol
CID 22036327
3,3,3-trifluoro-2-[(2-methoxyphenoxy)methyl]propan-1-amine
CID 103366694
2-(2-methoxyphenoxy)-1-(4-methylphenyl)ethanamine
CID 16783711
2-(2-methoxyphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 117244544
3-(2-methoxyphenoxy)propane-1,2-diol
CID 3516
2-(2-methoxyphenoxy)-1-(5-methylfuran-2-yl)ethanamine
CID 16795378
1-(2-methoxy-5-methylphenyl)-2-(2-methoxyphenoxy)ethanamine
CID 16785142
1-(3-fluoro-4-methoxyphenyl)-4,4-dimethylpentan-2-amine
CID 63889804
2-amino-3-(2,3-dimethoxyphenoxy)propan-1-ol
CID 112512175

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenoxy)-4,4-dimethylpentan-2-amine?
The IUPAC name of 1-(2-methoxyphenoxy)-4,4-dimethylpentan-2-amine (CID 117241707) is 1-(2-methoxyphenoxy)-4,4-dimethylpentan-2-amine.
What is the SMILES notation for 1-(2-methoxyphenoxy)-4,4-dimethylpentan-2-amine?
The canonical SMILES for 1-(2-methoxyphenoxy)-4,4-dimethylpentan-2-amine is COc1ccccc1OCC(N)CC(C)(C)C.
What is the InChIKey of 1-(2-methoxyphenoxy)-4,4-dimethylpentan-2-amine?
The InChIKey is MNCVYWFKASWFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-14(2,3)9-11(15)10-17-13-8-6-5-7-12(13)16-4/h5-8,11H,9-10,15H2,1-4H3.
What are the key properties of 1-(2-methoxyphenoxy)-4,4-dimethylpentan-2-amine?
1-(2-methoxyphenoxy)-4,4-dimethylpentan-2-amine has a molecular weight of 237.34 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenoxy)-4,4-dimethylpentan-2-amine is sourced from PubChem (CID 117241707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).