1-[3-methyl-2-[(3-methylphenyl)methoxy]phenyl]ethanamine

C17H21NO — CID 82088753

IUPAC1-[3-methyl-2-[(3-methylphenyl)methoxy]phenyl]ethanamine
SMILESCc1cccc(COc2c(C)cccc2C(C)N)c1
InChIInChI=1S/C17H21NO/c1-12-6-4-8-15(10-12)11-19-17-13(2)7-5-9-16(17)14(3)18/h4-10,14H,11,18H2,1-3H3
InChIKeyZHPUSNWWHNQNEN-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.90
Rot. Bonds4

About 1-[3-methyl-2-[(3-methylphenyl)methoxy]phenyl]ethanamine

1-[3-methyl-2-[(3-methylphenyl)methoxy]phenyl]ethanamine (PubChem CID 82088753) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[3-methyl-2-[(3-methylphenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-methyl-2-[(3-methylphenyl)methoxy]phenyl]ethanamine
PubChem CID82088753
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1-[3-methyl-2-[(3-methylphenyl)methoxy]phenyl]ethanamine
SMILESCc1cccc(COc2c(C)cccc2C(C)N)c1
InChIInChI=1S/C17H21NO/c1-12-6-4-8-15(10-12)11-19-17-13(2)7-5-9-16(17)14(3)18/h4-10,14H,11,18H2,1-3H3
InChIKeyZHPUSNWWHNQNEN-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-fluoro-4-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 107715958
(1R)-1-[3-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 30123362
1-[3-methyl-2-(2-methylprop-2-enoxy)phenyl]ethanamine
CID 82077181
1-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]propan-2-amine
CID 60906569
1-[2-[(3-fluorophenyl)methoxy]-5-methylphenyl]ethanamine
CID 43504983
(1S)-1-[2-[(3-chlorophenyl)methoxy]-4-methylphenyl]ethanamine
CID 78947420
1-[2-[(3-bromophenyl)methoxy]-5-methylphenyl]ethanamine
CID 60887289
1-[2-[(3-chlorophenyl)methoxy]-3-methylphenyl]propan-2-amine
CID 115958087
1-methyl-3-(propan-2-yloxymethyl)benzene
CID 10464662
N-methyl-1-[2-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 43279574
1-(bromomethyl)-3-ethoxy-2-[(3-methylphenyl)methoxy]benzene
CID 43174682
(3-methyl-2-phenylmethoxyphenyl)-phenylmethanol
CID 171366218

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-2-[(3-methylphenyl)methoxy]phenyl]ethanamine?
The IUPAC name of 1-[3-methyl-2-[(3-methylphenyl)methoxy]phenyl]ethanamine (CID 82088753) is 1-[3-methyl-2-[(3-methylphenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 1-[3-methyl-2-[(3-methylphenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for 1-[3-methyl-2-[(3-methylphenyl)methoxy]phenyl]ethanamine is Cc1cccc(COc2c(C)cccc2C(C)N)c1.
What is the InChIKey of 1-[3-methyl-2-[(3-methylphenyl)methoxy]phenyl]ethanamine?
The InChIKey is ZHPUSNWWHNQNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-12-6-4-8-15(10-12)11-19-17-13(2)7-5-9-16(17)14(3)18/h4-10,14H,11,18H2,1-3H3.
What are the key properties of 1-[3-methyl-2-[(3-methylphenyl)methoxy]phenyl]ethanamine?
1-[3-methyl-2-[(3-methylphenyl)methoxy]phenyl]ethanamine has a molecular weight of 255.36 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-2-[(3-methylphenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 82088753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).