3-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]propan-1-amine

C18H23NO2 — CID 82186047

IUPAC3-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]propan-1-amine
SMILESCOc1ccc(CCCN)cc1OCc1ccc(C)cc1
InChIInChI=1S/C18H23NO2/c1-14-5-7-16(8-6-14)13-21-18-12-15(4-3-11-19)9-10-17(18)20-2/h5-10,12H,3-4,11,13,19H2,1-2H3
InChIKeyLKIVQBCDHYAESG-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.47
Rot. Bonds7

About 3-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]propan-1-amine

3-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]propan-1-amine (PubChem CID 82186047) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]propan-1-amine
PubChem CID82186047
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name3-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]propan-1-amine
SMILESCOc1ccc(CCCN)cc1OCc1ccc(C)cc1
InChIInChI=1S/C18H23NO2/c1-14-5-7-16(8-6-14)13-21-18-12-15(4-3-11-19)9-10-17(18)20-2/h5-10,12H,3-4,11,13,19H2,1-2H3
InChIKeyLKIVQBCDHYAESG-UHFFFAOYSA-N
XLogP3.47
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

3-(3,4-dimethoxyphenyl)propan-1-amine
CID 2281053
3-[4-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]propan-1-amine
CID 82186044
3-[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]propan-1-amine
CID 170879087
3-[4-methoxy-3-(2-methylpropoxy)phenyl]propan-1-amine
CID 82161145
3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]propan-1-amine
CID 170867828
2-methoxy-4-[2-(4-methoxyphenyl)ethyl]-1-[(4-methylphenyl)methoxy]benzene
CID 157158831
4-methoxy-3-[(4-methylphenyl)methoxy]benzenecarbothioamide
CID 22681441
3-[3-methoxy-4-(2-methoxyethoxy)phenyl]propan-1-amine
CID 170879181
3-[4-(3-chloropropoxy)-3-methoxyphenyl]propan-1-amine
CID 170867447
2-[5-methoxy-2-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 60906080
(4-methoxy-3-phenylmethoxyphenyl)methanamine
CID 12649335
2-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 20987766

Frequently Asked Questions

What is the IUPAC name of 3-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]propan-1-amine?
The IUPAC name of 3-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]propan-1-amine (CID 82186047) is 3-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]propan-1-amine.
What is the SMILES notation for 3-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]propan-1-amine?
The canonical SMILES for 3-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]propan-1-amine is COc1ccc(CCCN)cc1OCc1ccc(C)cc1.
What is the InChIKey of 3-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]propan-1-amine?
The InChIKey is LKIVQBCDHYAESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-14-5-7-16(8-6-14)13-21-18-12-15(4-3-11-19)9-10-17(18)20-2/h5-10,12H,3-4,11,13,19H2,1-2H3.
What are the key properties of 3-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]propan-1-amine?
3-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]propan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]propan-1-amine is sourced from PubChem (CID 82186047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).