[3-methoxy-4-(3-phenylpropoxy)phenyl]methanamine

C17H21NO2 — CID 7139503

IUPAC[3-methoxy-4-(3-phenylpropoxy)phenyl]methanamine
SMILESCOc1cc(CN)ccc1OCCCc1ccccc1
InChIInChI=1S/C17H21NO2/c1-19-17-12-15(13-18)9-10-16(17)20-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11,13,18H2,1H3
InChIKeyJLGKAOWQHZIENJ-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.17
Rot. Bonds7

About [3-methoxy-4-(3-phenylpropoxy)phenyl]methanamine

[3-methoxy-4-(3-phenylpropoxy)phenyl]methanamine (PubChem CID 7139503) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is [3-methoxy-4-(3-phenylpropoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-methoxy-4-(3-phenylpropoxy)phenyl]methanamine
PubChem CID7139503
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name[3-methoxy-4-(3-phenylpropoxy)phenyl]methanamine
SMILESCOc1cc(CN)ccc1OCCCc1ccccc1
InChIInChI=1S/C17H21NO2/c1-19-17-12-15(13-18)9-10-16(17)20-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11,13,18H2,1H3
InChIKeyJLGKAOWQHZIENJ-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

Computed Properties (RDKit)

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

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Related Compounds

[4-methoxy-3-(3-phenylpropoxy)phenyl]methanamine
CID 22685843
[4-(3-fluoropropoxy)-3-methoxyphenyl]methanamine
CID 81106628
[4-methoxy-3-[2-(2-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 20992369
2-[3-methoxy-4-(3-phenylpropoxy)phenyl]acetate
CID 7139445
[3-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methanamine
CID 22681699
4,5-dimethoxy-2-(3-phenylpropoxy)aniline
CID 83005249
[3-methoxy-4-(2-methoxyethoxy)phenyl]methanamine;hydrochloride
CID 43810786
[3-methoxy-4-(2-pyridin-4-ylethoxy)phenyl]methanamine
CID 60892245
[3-methoxy-4-(2-phenylethoxy)phenyl]methanol
CID 28562144
(4-methoxy-3-phenylmethoxyphenyl)methanamine
CID 12649335
[3-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 22683713
N-[(4-butoxy-3-methoxyphenyl)methyl]-3-phenylpropan-1-amine
CID 54804537

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-4-(3-phenylpropoxy)phenyl]methanamine?
The IUPAC name of [3-methoxy-4-(3-phenylpropoxy)phenyl]methanamine (CID 7139503) is [3-methoxy-4-(3-phenylpropoxy)phenyl]methanamine.
What is the SMILES notation for [3-methoxy-4-(3-phenylpropoxy)phenyl]methanamine?
The canonical SMILES for [3-methoxy-4-(3-phenylpropoxy)phenyl]methanamine is COc1cc(CN)ccc1OCCCc1ccccc1.
What is the InChIKey of [3-methoxy-4-(3-phenylpropoxy)phenyl]methanamine?
The InChIKey is JLGKAOWQHZIENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-19-17-12-15(13-18)9-10-16(17)20-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11,13,18H2,1H3.
What are the key properties of [3-methoxy-4-(3-phenylpropoxy)phenyl]methanamine?
[3-methoxy-4-(3-phenylpropoxy)phenyl]methanamine 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-methoxy-4-(3-phenylpropoxy)phenyl]methanamine is sourced from PubChem (CID 7139503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).