1-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]propan-2-amine

C18H23NO2 — CID 60906569

IUPAC1-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]propan-2-amine
SMILESCOc1cccc(CC(C)N)c1OCc1cccc(C)c1
InChIInChI=1S/C18H23NO2/c1-13-6-4-7-15(10-13)12-21-18-16(11-14(2)19)8-5-9-17(18)20-3/h4-10,14H,11-12,19H2,1-3H3
InChIKeyQUPXNOHYVYOXQY-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.47
Rot. Bonds6

About 1-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]propan-2-amine

1-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]propan-2-amine (PubChem CID 60906569) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]propan-2-amine
PubChem CID60906569
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]propan-2-amine
SMILESCOc1cccc(CC(C)N)c1OCc1cccc(C)c1
InChIInChI=1S/C18H23NO2/c1-13-6-4-7-15(10-13)12-21-18-16(11-14(2)19)8-5-9-17(18)20-3/h4-10,14H,11-12,19H2,1-3H3
InChIKeyQUPXNOHYVYOXQY-UHFFFAOYSA-N
XLogP3.47
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propan-2-amine
CID 60908017
1-[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propan-2-amine
CID 60906800
1-[3-methoxy-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine
CID 79263428
4-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]butane-1,2-diol
CID 82185820
1-[3-methoxy-2-(2-methoxyethoxy)phenyl]propan-2-amine
CID 60907501
1-[3-methoxy-2-(3-methylbutoxy)phenyl]propan-2-amine
CID 60907892
1-[3-fluoro-2-[(3-methoxyphenyl)methoxy]phenyl]propan-2-amine
CID 115958705
N-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]butan-1-amine
CID 39455732
1-[3-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-2-amine
CID 60908019
(2S)-2-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 51988439
2-[2-(2-aminopropyl)-6-methoxyphenoxy]acetamide
CID 54929037
1-[3-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]propan-2-amine
CID 61483304

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]propan-2-amine (CID 60906569) is 1-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]propan-2-amine is COc1cccc(CC(C)N)c1OCc1cccc(C)c1.
What is the InChIKey of 1-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]propan-2-amine?
The InChIKey is QUPXNOHYVYOXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13-6-4-7-15(10-13)12-21-18-16(11-14(2)19)8-5-9-17(18)20-3/h4-10,14H,11-12,19H2,1-3H3.
What are the key properties of 1-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]propan-2-amine?
1-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]propan-2-amine has a molecular weight of 285.39 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]propan-2-amine is sourced from PubChem (CID 60906569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).