[4-(3,4-dimethoxyphenyl)oxan-4-yl]methanamine;hydrochloride

C14H22ClNO3 — CID 2852629

IUPAC[4-(3,4-dimethoxyphenyl)oxan-4-yl]methanamine;hydrochloride
SMILESCOc1ccc(C2(CN)CCOCC2)cc1OC.Cl
InChIInChI=1S/C14H21NO3.ClH/c1-16-12-4-3-11(9-13(12)17-2)14(10-15)5-7-18-8-6-14;/h3-4,9H,5-8,10,15H2,1-2H3;1H
InChIKeyPMMMOJMWJCJZGA-UHFFFAOYSA-N
MW287.79 g/mol
LogP2.13
Rot. Bonds4

About [4-(3,4-dimethoxyphenyl)oxan-4-yl]methanamine;hydrochloride

[4-(3,4-dimethoxyphenyl)oxan-4-yl]methanamine;hydrochloride (PubChem CID 2852629) has the molecular formula C14H22ClNO3 and a molecular weight of 287.79 g/mol. Its IUPAC name is [4-(3,4-dimethoxyphenyl)oxan-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-(3,4-dimethoxyphenyl)oxan-4-yl]methanamine;hydrochloride
PubChem CID2852629
Molecular FormulaC14H22ClNO3
Molecular Weight287.79 g/mol
Exact Mass287.13
IUPAC Name[4-(3,4-dimethoxyphenyl)oxan-4-yl]methanamine;hydrochloride
SMILESCOc1ccc(C2(CN)CCOCC2)cc1OC.Cl
InChIInChI=1S/C14H21NO3.ClH/c1-16-12-4-3-11(9-13(12)17-2)14(10-15)5-7-18-8-6-14;/h3-4,9H,5-8,10,15H2,1-2H3;1H
InChIKeyPMMMOJMWJCJZGA-UHFFFAOYSA-N
XLogP2.13
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-ethoxy-3-methoxyphenyl)cyclopropyl]methanamine
CID 116989217
[4-(3-methoxyphenyl)oxan-4-yl]methanamine
CID 61264029
4-(aminomethyl)-N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]oxane-4-carboxamide;hydrochloride
CID 120932991
[1-[3-methoxy-4-(oxan-3-yloxy)phenyl]cyclobutyl]methanamine
CID 117470732
1-(1,3-benzodioxol-5-yl)-N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]methanamine;hydrochloride
CID 170458797
[1-(3-fluoro-4-methoxyphenyl)cyclobutyl]methanamine
CID 131328420
[1-(3-methoxy-4-methylsulfanylphenyl)cyclopropyl]methanamine
CID 117320792
[1-(3-tert-butyl-4-methoxyphenyl)cyclopropyl]methanamine
CID 82290284
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]benzamide
CID 112503014
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]morpholine-4-carboxamide
CID 112503044
[1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]cyclobutyl]methanamine
CID 117408013
[1-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexyl]methanamine
CID 117488616

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dimethoxyphenyl)oxan-4-yl]methanamine;hydrochloride?
The IUPAC name of [4-(3,4-dimethoxyphenyl)oxan-4-yl]methanamine;hydrochloride (CID 2852629) is [4-(3,4-dimethoxyphenyl)oxan-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [4-(3,4-dimethoxyphenyl)oxan-4-yl]methanamine;hydrochloride?
The canonical SMILES for [4-(3,4-dimethoxyphenyl)oxan-4-yl]methanamine;hydrochloride is COc1ccc(C2(CN)CCOCC2)cc1OC.Cl.
What is the InChIKey of [4-(3,4-dimethoxyphenyl)oxan-4-yl]methanamine;hydrochloride?
The InChIKey is PMMMOJMWJCJZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3.ClH/c1-16-12-4-3-11(9-13(12)17-2)14(10-15)5-7-18-8-6-14;/h3-4,9H,5-8,10,15H2,1-2H3;1H.
What are the key properties of [4-(3,4-dimethoxyphenyl)oxan-4-yl]methanamine;hydrochloride?
[4-(3,4-dimethoxyphenyl)oxan-4-yl]methanamine;hydrochloride has a molecular weight of 287.79 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dimethoxyphenyl)oxan-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 2852629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).