4-(2-methoxy-4-methylphenoxy)-2-(4-methylphenyl)butan-1-amine

C19H25NO2 — CID 82138051

IUPAC4-(2-methoxy-4-methylphenoxy)-2-(4-methylphenyl)butan-1-amine
SMILESCOc1cc(C)ccc1OCCC(CN)c1ccc(C)cc1
InChIInChI=1S/C19H25NO2/c1-14-4-7-16(8-5-14)17(13-20)10-11-22-18-9-6-15(2)12-19(18)21-3/h4-9,12,17H,10-11,13,20H2,1-3H3
InChIKeyQVUFGMPUVBGVGN-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.82
Rot. Bonds7

About 4-(2-methoxy-4-methylphenoxy)-2-(4-methylphenyl)butan-1-amine

4-(2-methoxy-4-methylphenoxy)-2-(4-methylphenyl)butan-1-amine (PubChem CID 82138051) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 4-(2-methoxy-4-methylphenoxy)-2-(4-methylphenyl)butan-1-amine.

Molecular Properties

Compound Name4-(2-methoxy-4-methylphenoxy)-2-(4-methylphenyl)butan-1-amine
PubChem CID82138051
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name4-(2-methoxy-4-methylphenoxy)-2-(4-methylphenyl)butan-1-amine
SMILESCOc1cc(C)ccc1OCCC(CN)c1ccc(C)cc1
InChIInChI=1S/C19H25NO2/c1-14-4-7-16(8-5-14)17(13-20)10-11-22-18-9-6-15(2)12-19(18)21-3/h4-9,12,17H,10-11,13,20H2,1-3H3
InChIKeyQVUFGMPUVBGVGN-UHFFFAOYSA-N
XLogP3.82
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methoxyphenoxy)-2-(3-methylphenyl)butan-1-amine
CID 79422486
2-(4-bromophenyl)-4-(2-methoxyphenoxy)butan-1-amine
CID 79429853
4-(2-fluorophenoxy)-2-(4-methylphenyl)butan-1-amine
CID 82138025
2-(2,5-dimethylphenyl)-4-(2-methoxyphenoxy)butan-1-amine
CID 82138492
1-(3-chloropropoxy)-2-methoxy-4-methylbenzene
CID 23036323
2-(4-methylphenyl)-4-(3-propan-2-ylphenoxy)butan-1-amine
CID 82138041
1-[3-(2,4-dimethylphenoxy)propoxy]-2-methoxy-4-methylbenzene
CID 2284068
5-(2-fluorophenoxy)-2-(4-methylphenyl)pentan-1-amine
CID 82138009
1-(5-chloropentoxy)-2-methoxy-4-methylbenzene
CID 43348422
2,2-diethyl-4-(2-methoxy-4-methylphenoxy)butan-1-amine
CID 82138621
4-(2-fluorophenoxy)-2-(4-methoxyphenyl)butan-1-amine
CID 82138375
1-chloro-2-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-methylbenzene
CID 2899624

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-4-methylphenoxy)-2-(4-methylphenyl)butan-1-amine?
The IUPAC name of 4-(2-methoxy-4-methylphenoxy)-2-(4-methylphenyl)butan-1-amine (CID 82138051) is 4-(2-methoxy-4-methylphenoxy)-2-(4-methylphenyl)butan-1-amine.
What is the SMILES notation for 4-(2-methoxy-4-methylphenoxy)-2-(4-methylphenyl)butan-1-amine?
The canonical SMILES for 4-(2-methoxy-4-methylphenoxy)-2-(4-methylphenyl)butan-1-amine is COc1cc(C)ccc1OCCC(CN)c1ccc(C)cc1.
What is the InChIKey of 4-(2-methoxy-4-methylphenoxy)-2-(4-methylphenyl)butan-1-amine?
The InChIKey is QVUFGMPUVBGVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-14-4-7-16(8-5-14)17(13-20)10-11-22-18-9-6-15(2)12-19(18)21-3/h4-9,12,17H,10-11,13,20H2,1-3H3.
What are the key properties of 4-(2-methoxy-4-methylphenoxy)-2-(4-methylphenyl)butan-1-amine?
4-(2-methoxy-4-methylphenoxy)-2-(4-methylphenyl)butan-1-amine has a molecular weight of 299.41 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-4-methylphenoxy)-2-(4-methylphenyl)butan-1-amine is sourced from PubChem (CID 82138051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).