4-(2-methoxyphenoxy)-2-methyl-1-phenylbutan-1-amine

C18H23NO2 — CID 104845245

IUPAC4-(2-methoxyphenoxy)-2-methyl-1-phenylbutan-1-amine
SMILESCOc1ccccc1OCCC(C)C(N)c1ccccc1
InChIInChI=1S/C18H23NO2/c1-14(18(19)15-8-4-3-5-9-15)12-13-21-17-11-7-6-10-16(17)20-2/h3-11,14,18H,12-13,19H2,1-2H3
InChIKeyFARIPIZSWBXVJN-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.80
Rot. Bonds7

About 4-(2-methoxyphenoxy)-2-methyl-1-phenylbutan-1-amine

4-(2-methoxyphenoxy)-2-methyl-1-phenylbutan-1-amine (PubChem CID 104845245) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-(2-methoxyphenoxy)-2-methyl-1-phenylbutan-1-amine.

Molecular Properties

Compound Name4-(2-methoxyphenoxy)-2-methyl-1-phenylbutan-1-amine
PubChem CID104845245
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name4-(2-methoxyphenoxy)-2-methyl-1-phenylbutan-1-amine
SMILESCOc1ccccc1OCCC(C)C(N)c1ccccc1
InChIInChI=1S/C18H23NO2/c1-14(18(19)15-8-4-3-5-9-15)12-13-21-17-11-7-6-10-16(17)20-2/h3-11,14,18H,12-13,19H2,1-2H3
InChIKeyFARIPIZSWBXVJN-UHFFFAOYSA-N
XLogP3.80
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-phenyl-4-propan-2-yloxybutan-1-amine
CID 104845224
4-(2-methoxyphenoxy)-2-methylbutan-1-ol
CID 66060440
2-methoxycarbonyl-4-(2-methoxyphenoxy)butanoic acid
CID 103973316
1-[4-chloro-3-(chloromethyl)butoxy]-2-methoxybenzene
CID 79447279
2-[2-(2-methoxyphenoxy)ethyl]-3,3-dimethylbutanoic acid
CID 83136429
1-methoxy-2-[12-(2-methoxyphenoxy)dodecoxy]benzene
CID 134880850
2-(3-fluorophenyl)-4-(2-methoxyphenoxy)butanoic acid
CID 82136686
1-(2-methoxyphenoxy)pentan-3-ol
CID 112501425
4-(2-methoxyphenoxy)-2-(3-methylphenyl)butan-1-amine
CID 79422486
1-[3-(chloromethyl)-4,4-dimethylpentoxy]-2-methoxybenzene
CID 83142159
(2S)-1-(2-methoxyphenoxy)-3-methylbutan-2-amine
CID 39110010
4-(2-propoxyphenoxy)butan-2-amine
CID 43118980

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenoxy)-2-methyl-1-phenylbutan-1-amine?
The IUPAC name of 4-(2-methoxyphenoxy)-2-methyl-1-phenylbutan-1-amine (CID 104845245) is 4-(2-methoxyphenoxy)-2-methyl-1-phenylbutan-1-amine.
What is the SMILES notation for 4-(2-methoxyphenoxy)-2-methyl-1-phenylbutan-1-amine?
The canonical SMILES for 4-(2-methoxyphenoxy)-2-methyl-1-phenylbutan-1-amine is COc1ccccc1OCCC(C)C(N)c1ccccc1.
What is the InChIKey of 4-(2-methoxyphenoxy)-2-methyl-1-phenylbutan-1-amine?
The InChIKey is FARIPIZSWBXVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-14(18(19)15-8-4-3-5-9-15)12-13-21-17-11-7-6-10-16(17)20-2/h3-11,14,18H,12-13,19H2,1-2H3.
What are the key properties of 4-(2-methoxyphenoxy)-2-methyl-1-phenylbutan-1-amine?
4-(2-methoxyphenoxy)-2-methyl-1-phenylbutan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenoxy)-2-methyl-1-phenylbutan-1-amine is sourced from PubChem (CID 104845245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).