1-(3-methoxyphenyl)-1-(2-methylpropoxy)propan-2-amine

C14H23NO2 — CID 55017784

IUPAC1-(3-methoxyphenyl)-1-(2-methylpropoxy)propan-2-amine
SMILESCOc1cccc(C(OCC(C)C)C(C)N)c1
InChIInChI=1S/C14H23NO2/c1-10(2)9-17-14(11(3)15)12-6-5-7-13(8-12)16-4/h5-8,10-11,14H,9,15H2,1-4H3
InChIKeyPOFIZTJVUPPYDC-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.76
Rot. Bonds6

About 1-(3-methoxyphenyl)-1-(2-methylpropoxy)propan-2-amine

1-(3-methoxyphenyl)-1-(2-methylpropoxy)propan-2-amine (PubChem CID 55017784) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-1-(2-methylpropoxy)propan-2-amine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-1-(2-methylpropoxy)propan-2-amine
PubChem CID55017784
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-(3-methoxyphenyl)-1-(2-methylpropoxy)propan-2-amine
SMILESCOc1cccc(C(OCC(C)C)C(C)N)c1
InChIInChI=1S/C14H23NO2/c1-10(2)9-17-14(11(3)15)12-6-5-7-13(8-12)16-4/h5-8,10-11,14H,9,15H2,1-4H3
InChIKeyPOFIZTJVUPPYDC-UHFFFAOYSA-N
XLogP2.76
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-1-(4-methylpentoxy)propan-2-amine
CID 55018121
1-(2-ethoxyethoxy)-1-(3-methoxyphenyl)propan-2-amine
CID 55018409
1-(3-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 55018073
1-(3-methoxyphenyl)ethanamine;hydrochloride
CID 19864848
methane;(1R)-1-(3-methoxyphenyl)ethanamine
CID 160746722
(1R)-1-(3-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171200212
1-butan-2-yloxy-1-(3-methoxyphenyl)butan-2-amine
CID 55018410
1-methoxy-3-[3-(3-methoxyphenyl)butan-2-yl]benzene
CID 12861418
1-(3-methoxyphenyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine
CID 55000916
1-(3-methoxyphenyl)-2,3-dimethylbutan-1-amine
CID 115785901
1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride
CID 138109115
2,2-diethoxy-1-(3-methoxyphenyl)ethanamine
CID 79495192

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-1-(2-methylpropoxy)propan-2-amine?
The IUPAC name of 1-(3-methoxyphenyl)-1-(2-methylpropoxy)propan-2-amine (CID 55017784) is 1-(3-methoxyphenyl)-1-(2-methylpropoxy)propan-2-amine.
What is the SMILES notation for 1-(3-methoxyphenyl)-1-(2-methylpropoxy)propan-2-amine?
The canonical SMILES for 1-(3-methoxyphenyl)-1-(2-methylpropoxy)propan-2-amine is COc1cccc(C(OCC(C)C)C(C)N)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-1-(2-methylpropoxy)propan-2-amine?
The InChIKey is POFIZTJVUPPYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-10(2)9-17-14(11(3)15)12-6-5-7-13(8-12)16-4/h5-8,10-11,14H,9,15H2,1-4H3.
What are the key properties of 1-(3-methoxyphenyl)-1-(2-methylpropoxy)propan-2-amine?
1-(3-methoxyphenyl)-1-(2-methylpropoxy)propan-2-amine has a molecular weight of 237.34 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-1-(2-methylpropoxy)propan-2-amine is sourced from PubChem (CID 55017784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).