1-(3,4-dimethoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine

C14H21NO3 — CID 43481199

IUPAC1-(3,4-dimethoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine
SMILESCNC(c1ccc(OC)c(OC)c1)C1CCCO1
InChIInChI=1S/C14H21NO3/c1-15-14(12-5-4-8-18-12)10-6-7-11(16-2)13(9-10)17-3/h6-7,9,12,14-15H,4-5,8H2,1-3H3
InChIKeyRRQREHSEYLBPRR-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.14
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine

1-(3,4-dimethoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine (PubChem CID 43481199) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine
PubChem CID43481199
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name1-(3,4-dimethoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine
SMILESCNC(c1ccc(OC)c(OC)c1)C1CCCO1
InChIInChI=1S/C14H21NO3/c1-15-14(12-5-4-8-18-12)10-6-7-11(16-2)13(9-10)17-3/h6-7,9,12,14-15H,4-5,8H2,1-3H3
InChIKeyRRQREHSEYLBPRR-UHFFFAOYSA-N
XLogP2.14
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 43481680
1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 43480086
N-methyl-1-naphthalen-2-yl-1-(oxolan-2-yl)methanamine
CID 65328741
(3,4-dimethoxyphenyl)-(oxan-2-yl)methanol
CID 62215348
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 43482564
1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(oxan-2-yl)methanamine
CID 104657440
1-(3-fluorophenyl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 65328286
1-(1,4-dioxan-2-yl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 62800276
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(oxan-2-yl)methanamine
CID 107130447
N-methyl-1-(oxan-2-yl)-1-phenylmethanamine
CID 62213165
1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-1-(oxan-2-yl)methanamine
CID 106682477
1-(3,4-dimethoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]thiourea
CID 19675917

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine (CID 43481199) is 1-(3,4-dimethoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine is CNC(c1ccc(OC)c(OC)c1)C1CCCO1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine?
The InChIKey is RRQREHSEYLBPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-15-14(12-5-4-8-18-12)10-6-7-11(16-2)13(9-10)17-3/h6-7,9,12,14-15H,4-5,8H2,1-3H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine?
1-(3,4-dimethoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine has a molecular weight of 251.33 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 43481199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).