(2,4-dimethoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]azanium

C14H22NO3+ — CID 6942240

IUPAC(2,4-dimethoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]azanium
SMILESCOc1ccc(C[NH2+]C[C@H]2CCCO2)c(OC)c1
InChIInChI=1S/C14H21NO3/c1-16-12-6-5-11(14(8-12)17-2)9-15-10-13-4-3-7-18-13/h5-6,8,13,15H,3-4,7,9-10H2,1-2H3/p+1/t13-/m1/s1
InChIKeyUMUVEGLNWVUCTM-CYBMUJFWSA-O
MW252.33 g/mol
LogP0.95
Rot. Bonds6

About (2,4-dimethoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]azanium

(2,4-dimethoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]azanium (PubChem CID 6942240) has the molecular formula C14H22NO3+ and a molecular weight of 252.33 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]azanium.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]azanium
PubChem CID6942240
Molecular FormulaC14H22NO3+
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name(2,4-dimethoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]azanium
SMILESCOc1ccc(C[NH2+]C[C@H]2CCCO2)c(OC)c1
InChIInChI=1S/C14H21NO3/c1-16-12-6-5-11(14(8-12)17-2)9-15-10-13-4-3-7-18-13/h5-6,8,13,15H,3-4,7,9-10H2,1-2H3/p+1/t13-/m1/s1
InChIKeyUMUVEGLNWVUCTM-CYBMUJFWSA-O
XLogP0.95
TPSA44.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-oxolan-2-yl]methyl-[(2,4,5-trimethoxyphenyl)methyl]azanium
CID 7255970
2-(2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 46418634
N-[(2,4-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)-N-(oxolan-2-ylmethyl)methanamine
CID 46962832
[4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]methanol
CID 65162887
[4-methoxy-2-(oxan-2-ylmethoxy)phenyl]methanol
CID 61267945
1-[4-methoxy-2-(oxan-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 61268338
5-[[(2,4-dimethoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]pyrimidin-2-amine
CID 46962834
2-(2-methoxyphenoxy)ethyl-[[(2R)-oxolan-2-yl]methyl]azanium
CID 2430826
2-[(2-bromo-4-methoxyphenoxy)methyl]oxolane
CID 104705218
2,4-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 19682484
1-[(2,4-dimethoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 1071362
N-[(2,4-dimethoxyphenyl)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 51497130

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]azanium?
The IUPAC name of (2,4-dimethoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]azanium (CID 6942240) is (2,4-dimethoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]azanium.
What is the SMILES notation for (2,4-dimethoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]azanium?
The canonical SMILES for (2,4-dimethoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]azanium is COc1ccc(C[NH2+]C[C@H]2CCCO2)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]azanium?
The InChIKey is UMUVEGLNWVUCTM-CYBMUJFWSA-O. The full InChI is InChI=1S/C14H21NO3/c1-16-12-6-5-11(14(8-12)17-2)9-15-10-13-4-3-7-18-13/h5-6,8,13,15H,3-4,7,9-10H2,1-2H3/p+1/t13-/m1/s1.
What are the key properties of (2,4-dimethoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]azanium?
(2,4-dimethoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]azanium has a molecular weight of 252.33 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]azanium is sourced from PubChem (CID 6942240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).