1-[4-methoxy-2-(oxan-2-ylmethoxy)phenyl]-N-methylmethanamine

C15H23NO3 — CID 61268338

IUPAC1-[4-methoxy-2-(oxan-2-ylmethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OC)cc1OCC1CCCCO1
InChIInChI=1S/C15H23NO3/c1-16-10-12-6-7-13(17-2)9-15(12)19-11-14-5-3-4-8-18-14/h6-7,9,14,16H,3-5,8,10-11H2,1-2H3
InChIKeyWRFVEHFDEAJUAC-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.36
Rot. Bonds6

About 1-[4-methoxy-2-(oxan-2-ylmethoxy)phenyl]-N-methylmethanamine

1-[4-methoxy-2-(oxan-2-ylmethoxy)phenyl]-N-methylmethanamine (PubChem CID 61268338) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-[4-methoxy-2-(oxan-2-ylmethoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-methoxy-2-(oxan-2-ylmethoxy)phenyl]-N-methylmethanamine
PubChem CID61268338
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name1-[4-methoxy-2-(oxan-2-ylmethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OC)cc1OCC1CCCCO1
InChIInChI=1S/C15H23NO3/c1-16-10-12-6-7-13(17-2)9-15(12)19-11-14-5-3-4-8-18-14/h6-7,9,14,16H,3-5,8,10-11H2,1-2H3
InChIKeyWRFVEHFDEAJUAC-UHFFFAOYSA-N
XLogP2.36
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-methoxy-2-(oxan-2-ylmethoxy)phenyl]methanol
CID 61267945
[5-methoxy-2-(oxan-2-ylmethoxy)phenyl]methanol
CID 43591968
4-methoxy-2-(oxan-2-ylmethoxy)benzenecarbothioamide
CID 81303078
N-methyl-1-[6-methyl-4-(oxan-2-ylmethoxy)-3-pyridinyl]methanamine
CID 81255345
2-[(2-bromo-4-methoxyphenoxy)methyl]oxolane
CID 104705218
1-[5-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]-N-methylmethanamine
CID 65158967
1-[2-(cyclopropylmethoxy)-5-methoxyphenyl]-N-methylmethanamine
CID 43560073
(NE)-N-[1-[4-methoxy-2-(oxolan-2-ylmethoxy)phenyl]ethylidene]hydroxylamine
CID 82001539
2-[[2-(3-chloroprop-1-ynyl)-4-methoxyphenoxy]methyl]oxane
CID 104706796
1-[2-[(4-ethylmorpholin-2-yl)methoxy]-5-methoxyphenyl]-N-methylmethanamine
CID 79165518
N-methyl-1-[2-[2-(oxan-2-ylmethoxy)ethoxy]phenyl]methanamine
CID 62444128
N-[[4-methoxy-3-(oxan-2-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43591760

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-2-(oxan-2-ylmethoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-methoxy-2-(oxan-2-ylmethoxy)phenyl]-N-methylmethanamine (CID 61268338) is 1-[4-methoxy-2-(oxan-2-ylmethoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-methoxy-2-(oxan-2-ylmethoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-methoxy-2-(oxan-2-ylmethoxy)phenyl]-N-methylmethanamine is CNCc1ccc(OC)cc1OCC1CCCCO1.
What is the InChIKey of 1-[4-methoxy-2-(oxan-2-ylmethoxy)phenyl]-N-methylmethanamine?
The InChIKey is WRFVEHFDEAJUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-16-10-12-6-7-13(17-2)9-15(12)19-11-14-5-3-4-8-18-14/h6-7,9,14,16H,3-5,8,10-11H2,1-2H3.
What are the key properties of 1-[4-methoxy-2-(oxan-2-ylmethoxy)phenyl]-N-methylmethanamine?
1-[4-methoxy-2-(oxan-2-ylmethoxy)phenyl]-N-methylmethanamine has a molecular weight of 265.35 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-2-(oxan-2-ylmethoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 61268338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).