[4-methoxy-2-(3-phenoxypropoxy)phenyl]methanamine

C17H21NO3 — CID 62936765

IUPAC[4-methoxy-2-(3-phenoxypropoxy)phenyl]methanamine
SMILESCOc1ccc(CN)c(OCCCOc2ccccc2)c1
InChIInChI=1S/C17H21NO3/c1-19-16-9-8-14(13-18)17(12-16)21-11-5-10-20-15-6-3-2-4-7-15/h2-4,6-9,12H,5,10-11,13,18H2,1H3
InChIKeyIVQFVQIGKIAQBF-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.00
Rot. Bonds8

About [4-methoxy-2-(3-phenoxypropoxy)phenyl]methanamine

[4-methoxy-2-(3-phenoxypropoxy)phenyl]methanamine (PubChem CID 62936765) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is [4-methoxy-2-(3-phenoxypropoxy)phenyl]methanamine.

Molecular Properties

Compound Name[4-methoxy-2-(3-phenoxypropoxy)phenyl]methanamine
PubChem CID62936765
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name[4-methoxy-2-(3-phenoxypropoxy)phenyl]methanamine
SMILESCOc1ccc(CN)c(OCCCOc2ccccc2)c1
InChIInChI=1S/C17H21NO3/c1-19-16-9-8-14(13-18)17(12-16)21-11-5-10-20-15-6-3-2-4-7-15/h2-4,6-9,12H,5,10-11,13,18H2,1H3
InChIKeyIVQFVQIGKIAQBF-UHFFFAOYSA-N
XLogP3.00
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-methoxy-2-(4-phenylbutoxy)phenyl]methanamine
CID 114332989
[2-(3,3-dimethylbutoxy)-4-methoxyphenyl]methanamine
CID 54958135
[4-methoxy-2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]phenyl]methanamine
CID 20985841
(2-butoxy-4-propoxyphenyl)methanamine
CID 43472095
[2,4-di(docosoxy)phenyl]methanamine
CID 66652643
3-[2-(aminomethyl)-5-methoxyphenoxy]-N,N-dimethylpropanamide
CID 61269630
[4-methoxy-2-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]methanamine
CID 22681321
2-(2-butoxy-4-methoxyphenyl)ethanamine
CID 20985365
4-methoxy-2-(2-phenoxyethoxy)benzamide
CID 18085843
2-[4-methoxy-2-(2-naphthalen-2-yloxyethoxy)phenyl]ethanamine
CID 20984431
(2-octoxy-4-propoxyphenyl)methanamine
CID 43472093
[5-bromo-2-(3-phenoxypropoxy)phenyl]methanamine
CID 62935735

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-2-(3-phenoxypropoxy)phenyl]methanamine?
The IUPAC name of [4-methoxy-2-(3-phenoxypropoxy)phenyl]methanamine (CID 62936765) is [4-methoxy-2-(3-phenoxypropoxy)phenyl]methanamine.
What is the SMILES notation for [4-methoxy-2-(3-phenoxypropoxy)phenyl]methanamine?
The canonical SMILES for [4-methoxy-2-(3-phenoxypropoxy)phenyl]methanamine is COc1ccc(CN)c(OCCCOc2ccccc2)c1.
What is the InChIKey of [4-methoxy-2-(3-phenoxypropoxy)phenyl]methanamine?
The InChIKey is IVQFVQIGKIAQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-19-16-9-8-14(13-18)17(12-16)21-11-5-10-20-15-6-3-2-4-7-15/h2-4,6-9,12H,5,10-11,13,18H2,1H3.
What are the key properties of [4-methoxy-2-(3-phenoxypropoxy)phenyl]methanamine?
[4-methoxy-2-(3-phenoxypropoxy)phenyl]methanamine has a molecular weight of 287.36 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-2-(3-phenoxypropoxy)phenyl]methanamine is sourced from PubChem (CID 62936765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).