1-methoxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-amine

C18H31NO2 — CID 107506531

IUPAC1-methoxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-amine
SMILESCOCC(N)COc1ccc(C(C)(C)CC(C)(C)C)cc1
InChIInChI=1S/C18H31NO2/c1-17(2,3)13-18(4,5)14-7-9-16(10-8-14)21-12-15(19)11-20-6/h7-10,15H,11-13,19H2,1-6H3
InChIKeyWZJHIIQXJFTJIJ-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.75
Rot. Bonds7

About 1-methoxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-amine

1-methoxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-amine (PubChem CID 107506531) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-methoxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-amine.

Molecular Properties

Compound Name1-methoxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-amine
PubChem CID107506531
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name1-methoxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-amine
SMILESCOCC(N)COc1ccc(C(C)(C)CC(C)(C)C)cc1
InChIInChI=1S/C18H31NO2/c1-17(2,3)13-18(4,5)14-7-9-16(10-8-14)21-12-15(19)11-20-6/h7-10,15H,11-13,19H2,1-6H3
InChIKeyWZJHIIQXJFTJIJ-UHFFFAOYSA-N
XLogP3.75
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methoxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-(4-tert-butylphenoxy)butan-2-amine
CID 94338350
CID 164877264
CID 164877264
2-methyl-3-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]butan-2-amine;hydrochloride
CID 174237647
[(2R)-2-hydroxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]-trimethylazanium
CID 27532172
2-methyl-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propanenitrile
CID 43367422
2-methyl-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propanoic acid
CID 43537499
1-methoxy-3-(4-phenoxyphenoxy)propan-2-amine
CID 107506606
1-[2-(2-iodoethoxy)ethoxy]-4-(2,4,4-trimethylpentan-2-yl)benzene
CID 130452071
1-(4-bromobutoxy)-4-(2,4,4-trimethylpentan-2-yl)benzene
CID 63499116
1,3,5-tris[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]benzene
CID 139243319
ethane;2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol;hydrate
CID 144516438
1-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine
CID 16786972

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-amine?
The IUPAC name of 1-methoxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-amine (CID 107506531) is 1-methoxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-amine.
What is the SMILES notation for 1-methoxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-amine?
The canonical SMILES for 1-methoxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-amine is COCC(N)COc1ccc(C(C)(C)CC(C)(C)C)cc1.
What is the InChIKey of 1-methoxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-amine?
The InChIKey is WZJHIIQXJFTJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-17(2,3)13-18(4,5)14-7-9-16(10-8-14)21-12-15(19)11-20-6/h7-10,15H,11-13,19H2,1-6H3.
What are the key properties of 1-methoxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-amine?
1-methoxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-amine has a molecular weight of 293.45 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-amine is sourced from PubChem (CID 107506531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).