2-amino-1-[4-[(3-methoxyphenyl)methoxy]phenyl]propan-1-ol

C17H21NO3 — CID 110185097

IUPAC2-amino-1-[4-[(3-methoxyphenyl)methoxy]phenyl]propan-1-ol
SMILESCOc1cccc(COc2ccc(C(O)C(C)N)cc2)c1
InChIInChI=1S/C17H21NO3/c1-12(18)17(19)14-6-8-15(9-7-14)21-11-13-4-3-5-16(10-13)20-2/h3-10,12,17,19H,11,18H2,1-2H3
InChIKeyCZUIDFIJJXUIAS-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.65
Rot. Bonds6

About 2-amino-1-[4-[(3-methoxyphenyl)methoxy]phenyl]propan-1-ol

2-amino-1-[4-[(3-methoxyphenyl)methoxy]phenyl]propan-1-ol (PubChem CID 110185097) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-amino-1-[4-[(3-methoxyphenyl)methoxy]phenyl]propan-1-ol.

Molecular Properties

Compound Name2-amino-1-[4-[(3-methoxyphenyl)methoxy]phenyl]propan-1-ol
PubChem CID110185097
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name2-amino-1-[4-[(3-methoxyphenyl)methoxy]phenyl]propan-1-ol
SMILESCOc1cccc(COc2ccc(C(O)C(C)N)cc2)c1
InChIInChI=1S/C17H21NO3/c1-12(18)17(19)14-6-8-15(9-7-14)21-11-13-4-3-5-16(10-13)20-2/h3-10,12,17,19H,11,18H2,1-2H3
InChIKeyCZUIDFIJJXUIAS-UHFFFAOYSA-N
XLogP2.65
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-[4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine
CID 43284865
(1R)-1-[2-fluoro-4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine
CID 107718291
[1-hydroxy-1-(4-phenylmethoxyphenyl)propan-2-yl]-[3-(3-methoxyphenyl)propyl]azanium chloride
CID 110185098
methyl 2-amino-3-[4-[(3-methoxyphenyl)methoxy]phenyl]propanoate;hydrochloride
CID 68667398
1-ethenyl-4-[(3-methoxyphenyl)methoxy]benzene
CID 142732471
(3R)-3-[4-[(3-methoxyphenyl)methoxy]phenyl]hex-4-ynoic acid
CID 124504866
4-(3-methoxyphenyl)-3-methylbutan-2-amine
CID 60995099
[1-hydroxy-1-[4-[(3-methylphenyl)methoxy]phenyl]propan-2-yl]azanium chloride
CID 110184490
4-[(3-methoxyphenyl)methoxy]benzene-1,2-diamine
CID 69307184
4-[(3-methoxyphenyl)methoxy]-N-methylaniline
CID 39205064
1-amino-2-(4-phenylmethoxyphenyl)ethane-1,2-diol
CID 70474392
2-(3-methoxyphenyl)-1-(4-propoxyphenyl)ethanamine
CID 62796466

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[(3-methoxyphenyl)methoxy]phenyl]propan-1-ol?
The IUPAC name of 2-amino-1-[4-[(3-methoxyphenyl)methoxy]phenyl]propan-1-ol (CID 110185097) is 2-amino-1-[4-[(3-methoxyphenyl)methoxy]phenyl]propan-1-ol.
What is the SMILES notation for 2-amino-1-[4-[(3-methoxyphenyl)methoxy]phenyl]propan-1-ol?
The canonical SMILES for 2-amino-1-[4-[(3-methoxyphenyl)methoxy]phenyl]propan-1-ol is COc1cccc(COc2ccc(C(O)C(C)N)cc2)c1.
What is the InChIKey of 2-amino-1-[4-[(3-methoxyphenyl)methoxy]phenyl]propan-1-ol?
The InChIKey is CZUIDFIJJXUIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-12(18)17(19)14-6-8-15(9-7-14)21-11-13-4-3-5-16(10-13)20-2/h3-10,12,17,19H,11,18H2,1-2H3.
What are the key properties of 2-amino-1-[4-[(3-methoxyphenyl)methoxy]phenyl]propan-1-ol?
2-amino-1-[4-[(3-methoxyphenyl)methoxy]phenyl]propan-1-ol has a molecular weight of 287.36 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[(3-methoxyphenyl)methoxy]phenyl]propan-1-ol is sourced from PubChem (CID 110185097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).