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

C17H21NO2 — CID 58027643

IUPAC3-[3-[(2-methoxyphenyl)methoxy]phenyl]propan-1-amine
SMILESCOc1ccccc1COc1cccc(CCCN)c1
InChIInChI=1S/C17H21NO2/c1-19-17-10-3-2-8-15(17)13-20-16-9-4-6-14(12-16)7-5-11-18/h2-4,6,8-10,12H,5,7,11,13,18H2,1H3
InChIKeyYDNSDKDWFKNEMW-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.17
Rot. Bonds7

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

3-[3-[(2-methoxyphenyl)methoxy]phenyl]propan-1-amine (PubChem CID 58027643) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-[3-[(2-methoxyphenyl)methoxy]phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[3-[(2-methoxyphenyl)methoxy]phenyl]propan-1-amine
PubChem CID58027643
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name3-[3-[(2-methoxyphenyl)methoxy]phenyl]propan-1-amine
SMILESCOc1ccccc1COc1cccc(CCCN)c1
InChIInChI=1S/C17H21NO2/c1-19-17-10-3-2-8-15(17)13-20-16-9-4-6-14(12-16)7-5-11-18/h2-4,6,8-10,12H,5,7,11,13,18H2,1H3
InChIKeyYDNSDKDWFKNEMW-UHFFFAOYSA-N
XLogP3.17
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2-methoxyphenyl)methoxy]phenyl]propan-1-amine?
The IUPAC name of 3-[3-[(2-methoxyphenyl)methoxy]phenyl]propan-1-amine (CID 58027643) is 3-[3-[(2-methoxyphenyl)methoxy]phenyl]propan-1-amine.
What is the SMILES notation for 3-[3-[(2-methoxyphenyl)methoxy]phenyl]propan-1-amine?
The canonical SMILES for 3-[3-[(2-methoxyphenyl)methoxy]phenyl]propan-1-amine is COc1ccccc1COc1cccc(CCCN)c1.
What is the InChIKey of 3-[3-[(2-methoxyphenyl)methoxy]phenyl]propan-1-amine?
The InChIKey is YDNSDKDWFKNEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-19-17-10-3-2-8-15(17)13-20-16-9-4-6-14(12-16)7-5-11-18/h2-4,6,8-10,12H,5,7,11,13,18H2,1H3.
What are the key properties of 3-[3-[(2-methoxyphenyl)methoxy]phenyl]propan-1-amine?
3-[3-[(2-methoxyphenyl)methoxy]phenyl]propan-1-amine has a molecular weight of 271.36 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2-methoxyphenyl)methoxy]phenyl]propan-1-amine is sourced from PubChem (CID 58027643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).