1-(3-methylphenoxy)-1-(3-methylphenyl)propan-2-amine

C17H21NO — CID 55020131

IUPAC1-(3-methylphenoxy)-1-(3-methylphenyl)propan-2-amine
SMILESCc1cccc(OC(c2cccc(C)c2)C(C)N)c1
InChIInChI=1S/C17H21NO/c1-12-6-4-8-15(10-12)17(14(3)18)19-16-9-5-7-13(2)11-16/h4-11,14,17H,18H2,1-3H3
InChIKeyRKHNFVWGQUZUGT-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.77
Rot. Bonds4

About 1-(3-methylphenoxy)-1-(3-methylphenyl)propan-2-amine

1-(3-methylphenoxy)-1-(3-methylphenyl)propan-2-amine (PubChem CID 55020131) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(3-methylphenoxy)-1-(3-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-methylphenoxy)-1-(3-methylphenyl)propan-2-amine
PubChem CID55020131
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1-(3-methylphenoxy)-1-(3-methylphenyl)propan-2-amine
SMILESCc1cccc(OC(c2cccc(C)c2)C(C)N)c1
InChIInChI=1S/C17H21NO/c1-12-6-4-8-15(10-12)17(14(3)18)19-16-9-5-7-13(2)11-16/h4-11,14,17H,18H2,1-3H3
InChIKeyRKHNFVWGQUZUGT-UHFFFAOYSA-N
XLogP3.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylphenoxy)-1-(3-methylphenyl)propan-2-amine
CID 55020178
1-(3-methylphenoxy)-1-thiophen-2-ylpropan-2-amine
CID 55020853
1-(3-chlorophenyl)-1-(4-methylphenoxy)propan-2-amine
CID 55019897
1-(3-methylphenyl)-1-(2-propan-2-yloxyethoxy)propan-2-amine
CID 55020762
1-methyl-3-(1-phenylethoxy)benzene
CID 64765647
1-(3-ethoxyphenoxy)-1-(4-methylphenyl)propan-2-amine
CID 62337452
1-[2-(2-methoxyethoxy)ethoxy]-1-(3-methylphenyl)propan-2-amine
CID 104560177
(1R)-2-methyl-1-(3-methylphenyl)propan-1-amine
CID 45072365
1-cyclopentyloxy-1-(3-methylphenyl)propan-2-amine
CID 55020466
(2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methylphenyl)propan-2-amine
CID 91046815
1-(3-ethoxyphenoxy)-1-(3-fluorophenyl)propan-2-amine
CID 62338448
1-(3,4-dichlorophenoxy)-1-(3-methylphenyl)butan-2-amine
CID 63460308

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenoxy)-1-(3-methylphenyl)propan-2-amine?
The IUPAC name of 1-(3-methylphenoxy)-1-(3-methylphenyl)propan-2-amine (CID 55020131) is 1-(3-methylphenoxy)-1-(3-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-(3-methylphenoxy)-1-(3-methylphenyl)propan-2-amine?
The canonical SMILES for 1-(3-methylphenoxy)-1-(3-methylphenyl)propan-2-amine is Cc1cccc(OC(c2cccc(C)c2)C(C)N)c1.
What is the InChIKey of 1-(3-methylphenoxy)-1-(3-methylphenyl)propan-2-amine?
The InChIKey is RKHNFVWGQUZUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-12-6-4-8-15(10-12)17(14(3)18)19-16-9-5-7-13(2)11-16/h4-11,14,17H,18H2,1-3H3.
What are the key properties of 1-(3-methylphenoxy)-1-(3-methylphenyl)propan-2-amine?
1-(3-methylphenoxy)-1-(3-methylphenyl)propan-2-amine has a molecular weight of 255.36 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenoxy)-1-(3-methylphenyl)propan-2-amine is sourced from PubChem (CID 55020131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).