N-[2-(3,4-dimethoxyphenyl)ethyl]oxan-4-amine

C15H23NO3 — CID 43608339

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]oxan-4-amine
SMILESCOc1ccc(CCNC2CCOCC2)cc1OC
InChIInChI=1S/C15H23NO3/c1-17-14-4-3-12(11-15(14)18-2)5-8-16-13-6-9-19-10-7-13/h3-4,11,13,16H,5-10H2,1-2H3
InChIKeyJBAVFZBVOIGLNM-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.01
Rot. Bonds6

About N-[2-(3,4-dimethoxyphenyl)ethyl]oxan-4-amine

N-[2-(3,4-dimethoxyphenyl)ethyl]oxan-4-amine (PubChem CID 43608339) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]oxan-4-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]oxan-4-amine
PubChem CID43608339
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]oxan-4-amine
SMILESCOc1ccc(CCNC2CCOCC2)cc1OC
InChIInChI=1S/C15H23NO3/c1-17-14-4-3-12(11-15(14)18-2)5-8-16-13-6-9-19-10-7-13/h3-4,11,13,16H,5-10H2,1-2H3
InChIKeyJBAVFZBVOIGLNM-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]oxepan-4-amine
CID 65076929
cis-(1S,3R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclopentan-1-amine
CID 30979844
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclohexan-1-amine
CID 2846430
N-[2-(3,4-dimethoxyphenyl)ethyl]thian-3-amine
CID 62871405
2-(3,4-dimethoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43191422
N-[2-(3-ethyl-4-methoxyphenyl)ethyl]cyclopropanamine
CID 94682821
N-[2-(3,4-dimethoxyphenyl)ethyl]-9-methyl-9-azabicyclo[4.2.1]nonan-3-amine
CID 166264057
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylcyclopentan-1-amine
CID 65046529
(3R,5S)-1-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrrolidin-3-amine
CID 97320294
N-[2-(3,4-dimethoxyphenyl)ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 75372997
4-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclohexane-1,4-diamine
CID 115149862
2-[4-methoxy-3-(oxolan-3-yloxy)phenyl]-N-methylethanamine
CID 115005118

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]oxan-4-amine?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]oxan-4-amine (CID 43608339) is N-[2-(3,4-dimethoxyphenyl)ethyl]oxan-4-amine.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]oxan-4-amine?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]oxan-4-amine is COc1ccc(CCNC2CCOCC2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]oxan-4-amine?
The InChIKey is JBAVFZBVOIGLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-17-14-4-3-12(11-15(14)18-2)5-8-16-13-6-9-19-10-7-13/h3-4,11,13,16H,5-10H2,1-2H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]oxan-4-amine?
N-[2-(3,4-dimethoxyphenyl)ethyl]oxan-4-amine has a molecular weight of 265.35 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]oxan-4-amine is sourced from PubChem (CID 43608339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).