N-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)ethanamine

C16H25NO3 — CID 103769004

IUPACN-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)ethanamine
SMILESCOc1ccc(CNC(C)C2CCOCC2)c(OC)c1
InChIInChI=1S/C16H25NO3/c1-12(13-6-8-20-9-7-13)17-11-14-4-5-15(18-2)10-16(14)19-3/h4-5,10,12-13,17H,6-9,11H2,1-3H3
InChIKeyCGNFYXDJRYNFAQ-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.61
Rot. Bonds6

About N-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)ethanamine

N-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)ethanamine (PubChem CID 103769004) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)ethanamine
PubChem CID103769004
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)ethanamine
SMILESCOc1ccc(CNC(C)C2CCOCC2)c(OC)c1
InChIInChI=1S/C16H25NO3/c1-12(13-6-8-20-9-7-13)17-11-14-4-5-15(18-2)10-16(14)19-3/h4-5,10,12-13,17H,6-9,11H2,1-3H3
InChIKeyCGNFYXDJRYNFAQ-UHFFFAOYSA-N
XLogP2.61
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]ethanamine
CID 43400133
4-methoxy-2-[[1-(oxan-4-yl)ethylamino]methyl]phenol
CID 103902332
N-[[4-methoxy-2-(oxan-4-ylmethoxy)phenyl]methyl]propan-2-amine
CID 62385101
N-[(2,4-dimethoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine
CID 128976525
N-[[2,4-bis(difluoromethoxy)phenyl]methyl]-1-cyclopropylethanamine
CID 43400195
2-methoxy-4-[[1-(oxan-4-yl)ethylamino]methyl]phenol
CID 103779359
1-cyclopropyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 43400170
N-[(2-methoxy-5-methylphenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655223
N-[(2,4-dichlorophenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103768975
N-[(5-fluoro-2-methylphenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103944162
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769043
(1S)-N-[(3-bromo-2-methoxyphenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 97102481

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)ethanamine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)ethanamine (CID 103769004) is N-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)ethanamine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)ethanamine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)ethanamine is COc1ccc(CNC(C)C2CCOCC2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)ethanamine?
The InChIKey is CGNFYXDJRYNFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-12(13-6-8-20-9-7-13)17-11-14-4-5-15(18-2)10-16(14)19-3/h4-5,10,12-13,17H,6-9,11H2,1-3H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)ethanamine?
N-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)ethanamine has a molecular weight of 279.38 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)ethanamine is sourced from PubChem (CID 103769004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).