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

C17H21NO2 — CID 22685843

IUPAC[4-methoxy-3-(3-phenylpropoxy)phenyl]methanamine
SMILESCOc1ccc(CN)cc1OCCCc1ccccc1
InChIInChI=1S/C17H21NO2/c1-19-16-10-9-15(13-18)12-17(16)20-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11,13,18H2,1H3
InChIKeyXJEKXUWMCJVXBY-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.17
Rot. Bonds7

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

[4-methoxy-3-(3-phenylpropoxy)phenyl]methanamine (PubChem CID 22685843) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is [4-methoxy-3-(3-phenylpropoxy)phenyl]methanamine.

Molecular Properties

Compound Name[4-methoxy-3-(3-phenylpropoxy)phenyl]methanamine
PubChem CID22685843
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name[4-methoxy-3-(3-phenylpropoxy)phenyl]methanamine
SMILESCOc1ccc(CN)cc1OCCCc1ccccc1
InChIInChI=1S/C17H21NO2/c1-19-16-10-9-15(13-18)12-17(16)20-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11,13,18H2,1H3
InChIKeyXJEKXUWMCJVXBY-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

[3-methoxy-4-(3-phenylpropoxy)phenyl]methanamine
CID 7139503
[4-methoxy-3-[2-(2-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 20992369
(4-methoxy-3-phenylmethoxyphenyl)methanamine
CID 12649335
(3-heptoxy-4-methoxyphenyl)methanamine
CID 43129051
(4-methoxy-3-pentoxyphenyl)methanamine;hydrochloride
CID 19871589
4,5-dimethoxy-2-(3-phenylpropoxy)aniline
CID 83005249
[4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine
CID 112587988
[4-(3-fluoropropoxy)-3-methoxyphenyl]methanamine
CID 81106628
2-[3-methoxy-4-(3-phenylpropoxy)phenyl]acetate
CID 7139445
[4-methoxy-3-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]phenyl]methanamine
CID 22687113
[5-methoxy-4-(3-phenylpropoxy)-2-pyridinyl]methanol
CID 21221229
(2R)-1-[4-methoxy-3-(2-phenylethoxy)phenyl]butan-2-amine
CID 100949044

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-3-(3-phenylpropoxy)phenyl]methanamine?
The IUPAC name of [4-methoxy-3-(3-phenylpropoxy)phenyl]methanamine (CID 22685843) is [4-methoxy-3-(3-phenylpropoxy)phenyl]methanamine.
What is the SMILES notation for [4-methoxy-3-(3-phenylpropoxy)phenyl]methanamine?
The canonical SMILES for [4-methoxy-3-(3-phenylpropoxy)phenyl]methanamine is COc1ccc(CN)cc1OCCCc1ccccc1.
What is the InChIKey of [4-methoxy-3-(3-phenylpropoxy)phenyl]methanamine?
The InChIKey is XJEKXUWMCJVXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-19-16-10-9-15(13-18)12-17(16)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 [4-methoxy-3-(3-phenylpropoxy)phenyl]methanamine?
[4-methoxy-3-(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 [4-methoxy-3-(3-phenylpropoxy)phenyl]methanamine is sourced from PubChem (CID 22685843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).