1-[5-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]-N-methylmethanamine

C16H25NO3 — CID 65158967

IUPAC1-[5-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cc(OC)ccc1OCCCC1CCCO1
InChIInChI=1S/C16H25NO3/c1-17-12-13-11-15(18-2)7-8-16(13)20-10-4-6-14-5-3-9-19-14/h7-8,11,14,17H,3-6,9-10,12H2,1-2H3
InChIKeyIVWVKDBVFBEBAU-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.75
Rot. Bonds8

About 1-[5-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]-N-methylmethanamine

1-[5-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]-N-methylmethanamine (PubChem CID 65158967) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[5-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]-N-methylmethanamine
PubChem CID65158967
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name1-[5-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cc(OC)ccc1OCCCC1CCCO1
InChIInChI=1S/C16H25NO3/c1-17-12-13-11-15(18-2)7-8-16(13)20-10-4-6-14-5-3-9-19-14/h7-8,11,14,17H,3-6,9-10,12H2,1-2H3
InChIKeyIVWVKDBVFBEBAU-UHFFFAOYSA-N
XLogP2.75
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.75
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-[3-(oxolan-2-yl)propoxy]phenyl]methanol
CID 65162887
[5-methoxy-2-[2-(oxolan-2-yl)ethoxy]phenyl]methanol
CID 65163081
(1S)-1-[4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]ethanol
CID 82001183
3-[5-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]prop-2-yn-1-amine
CID 104706850
N-[[5-bromo-2-[3-(oxolan-2-yl)propoxy]phenyl]methyl]ethanamine
CID 65158825
(NE)-N-[1-[4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]ethylidene]hydroxylamine
CID 82003088
1-[4-methoxy-2-(oxan-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 61268338
1-[2-(cyclopropylmethoxy)-5-methoxyphenyl]-N-methylmethanamine
CID 43560073
5-methoxy-2-[2-(oxolan-2-yl)ethoxy]benzoic acid
CID 65159007
1-[5-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylmethanamine
CID 61493815
(2S)-2-[2-(4-methoxy-2-nitrophenoxy)ethyl]oxolane
CID 99826412
1-(2-ethoxy-5-methoxyphenyl)-N-methylmethanamine
CID 43276259

Frequently Asked Questions

What is the IUPAC name of 1-[5-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]-N-methylmethanamine (CID 65158967) is 1-[5-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]-N-methylmethanamine is CNCc1cc(OC)ccc1OCCCC1CCCO1.
What is the InChIKey of 1-[5-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]-N-methylmethanamine?
The InChIKey is IVWVKDBVFBEBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-17-12-13-11-15(18-2)7-8-16(13)20-10-4-6-14-5-3-9-19-14/h7-8,11,14,17H,3-6,9-10,12H2,1-2H3.
What are the key properties of 1-[5-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]-N-methylmethanamine?
1-[5-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]-N-methylmethanamine has a molecular weight of 279.38 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 65158967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).