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

C17H21NO — CID 55020178

IUPAC1-(2-methylphenoxy)-1-(3-methylphenyl)propan-2-amine
SMILESCc1cccc(C(Oc2ccccc2C)C(C)N)c1
InChIInChI=1S/C17H21NO/c1-12-7-6-9-15(11-12)17(14(3)18)19-16-10-5-4-8-13(16)2/h4-11,14,17H,18H2,1-3H3
InChIKeyFIVQLOUGVMNNFQ-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.77
Rot. Bonds4

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

1-(2-methylphenoxy)-1-(3-methylphenyl)propan-2-amine (PubChem CID 55020178) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(2-methylphenoxy)-1-(3-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-methylphenoxy)-1-(3-methylphenyl)propan-2-amine
PubChem CID55020178
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1-(2-methylphenoxy)-1-(3-methylphenyl)propan-2-amine
SMILESCc1cccc(C(Oc2ccccc2C)C(C)N)c1
InChIInChI=1S/C17H21NO/c1-12-7-6-9-15(11-12)17(14(3)18)19-16-10-5-4-8-13(16)2/h4-11,14,17H,18H2,1-3H3
InChIKeyFIVQLOUGVMNNFQ-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-(3-methylphenoxy)-1-(3-methylphenyl)propan-2-amine
CID 55020131
1-(3-chlorophenyl)-1-(5-fluoro-2-methylphenoxy)propan-2-amine
CID 102980563
1-(5-fluoro-2-methylphenoxy)-1-(3-methylphenyl)butan-2-amine
CID 102980547
1-(2-chloro-4-methylphenoxy)-1-(3-chlorophenyl)propan-2-amine
CID 62669709
1-(3-methylphenyl)-1-(2-propan-2-yloxyethoxy)propan-2-amine
CID 55020762
1-(4-bromo-2-methylphenoxy)-1-(3-methylphenyl)butan-2-amine
CID 63459593
1-cyclopentyloxy-1-(3-methylphenyl)propan-2-amine
CID 55020466
1-(2-fluorophenoxy)-1-(4-methylphenyl)propan-2-amine
CID 55016476
1-(4-chlorophenyl)-1-(2-fluoro-3-methylphenoxy)propan-2-amine
CID 107656348
(2-methylphenyl)-(3-methylphenyl)methanamine
CID 43828955
1-[2-(2-methoxyethoxy)ethoxy]-1-(3-methylphenyl)propan-2-amine
CID 104560177
1-(3-chlorophenyl)-1-(2,3-difluorophenoxy)propan-2-amine
CID 63038314

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenoxy)-1-(3-methylphenyl)propan-2-amine?
The IUPAC name of 1-(2-methylphenoxy)-1-(3-methylphenyl)propan-2-amine (CID 55020178) is 1-(2-methylphenoxy)-1-(3-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-(2-methylphenoxy)-1-(3-methylphenyl)propan-2-amine?
The canonical SMILES for 1-(2-methylphenoxy)-1-(3-methylphenyl)propan-2-amine is Cc1cccc(C(Oc2ccccc2C)C(C)N)c1.
What is the InChIKey of 1-(2-methylphenoxy)-1-(3-methylphenyl)propan-2-amine?
The InChIKey is FIVQLOUGVMNNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-12-7-6-9-15(11-12)17(14(3)18)19-16-10-5-4-8-13(16)2/h4-11,14,17H,18H2,1-3H3.
What are the key properties of 1-(2-methylphenoxy)-1-(3-methylphenyl)propan-2-amine?
1-(2-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-(2-methylphenoxy)-1-(3-methylphenyl)propan-2-amine is sourced from PubChem (CID 55020178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).