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

C18H23NO3 — CID 170867828

IUPAC3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]propan-1-amine
SMILESCOc1cccc(COc2ccc(CCCN)cc2OC)c1
InChIInChI=1S/C18H23NO3/c1-20-16-7-3-5-15(11-16)13-22-17-9-8-14(6-4-10-19)12-18(17)21-2/h3,5,7-9,11-12H,4,6,10,13,19H2,1-2H3
InChIKeyAHEJQMRMXTXUBD-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.17
Rot. Bonds8

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

3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]propan-1-amine (PubChem CID 170867828) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]propan-1-amine
PubChem CID170867828
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]propan-1-amine
SMILESCOc1cccc(COc2ccc(CCCN)cc2OC)c1
InChIInChI=1S/C18H23NO3/c1-20-16-7-3-5-15(11-16)13-22-17-9-8-14(6-4-10-19)12-18(17)21-2/h3,5,7-9,11-12H,4,6,10,13,19H2,1-2H3
InChIKeyAHEJQMRMXTXUBD-UHFFFAOYSA-N
XLogP3.17
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 60879812
2-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 20987766
3-[4-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]propan-1-amine
CID 82186044
3-(3,4-dimethoxyphenyl)propan-1-amine
CID 2281053
2-[4-[(3-bromophenyl)methoxy]-3-methoxyphenyl]ethanamine
CID 60906008
3-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]propan-1-amine
CID 82186047
3-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propan-1-amine
CID 170878343
3-[4-(3-chloropropoxy)-3-methoxyphenyl]propan-1-amine
CID 170867447
3-[3-methoxy-4-(2-methoxyethoxy)phenyl]propan-1-amine
CID 170879181
[3-bromo-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 63046855
1,2-dimethoxy-4-[2-[3-[2-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172870898
1,2-dimethoxy-4-[2-[4-methoxy-3-[3-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172870751

Frequently Asked Questions

What is the IUPAC name of 3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]propan-1-amine?
The IUPAC name of 3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]propan-1-amine (CID 170867828) is 3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]propan-1-amine.
What is the SMILES notation for 3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]propan-1-amine?
The canonical SMILES for 3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]propan-1-amine is COc1cccc(COc2ccc(CCCN)cc2OC)c1.
What is the InChIKey of 3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]propan-1-amine?
The InChIKey is AHEJQMRMXTXUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-20-16-7-3-5-15(11-16)13-22-17-9-8-14(6-4-10-19)12-18(17)21-2/h3,5,7-9,11-12H,4,6,10,13,19H2,1-2H3.
What are the key properties of 3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]propan-1-amine?
3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]propan-1-amine has a molecular weight of 301.39 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]propan-1-amine is sourced from PubChem (CID 170867828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).