N-[(2,5-dimethoxyphenyl)methyl]-N-(furan-3-ylmethyl)-1-(oxolan-2-yl)methanamine

C19H25NO4 — CID 43818695

IUPACN-[(2,5-dimethoxyphenyl)methyl]-N-(furan-3-ylmethyl)-1-(oxolan-2-yl)methanamine
SMILESCOc1ccc(OC)c(CN(Cc2ccoc2)CC2CCCO2)c1
InChIInChI=1S/C19H25NO4/c1-21-17-5-6-19(22-2)16(10-17)12-20(11-15-7-9-23-14-15)13-18-4-3-8-24-18/h5-7,9-10,14,18H,3-4,8,11-13H2,1-2H3
InChIKeyQFHVUPZWYAITBQ-UHFFFAOYSA-N
MW331.41 g/mol
LogP3.48
Rot. Bonds8

About N-[(2,5-dimethoxyphenyl)methyl]-N-(furan-3-ylmethyl)-1-(oxolan-2-yl)methanamine

N-[(2,5-dimethoxyphenyl)methyl]-N-(furan-3-ylmethyl)-1-(oxolan-2-yl)methanamine (PubChem CID 43818695) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-N-(furan-3-ylmethyl)-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-N-(furan-3-ylmethyl)-1-(oxolan-2-yl)methanamine
PubChem CID43818695
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-N-(furan-3-ylmethyl)-1-(oxolan-2-yl)methanamine
SMILESCOc1ccc(OC)c(CN(Cc2ccoc2)CC2CCCO2)c1
InChIInChI=1S/C19H25NO4/c1-21-17-5-6-19(22-2)16(10-17)12-20(11-15-7-9-23-14-15)13-18-4-3-8-24-18/h5-7,9-10,14,18H,3-4,8,11-13H2,1-2H3
InChIKeyQFHVUPZWYAITBQ-UHFFFAOYSA-N
XLogP3.48
TPSA44.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-N-(furan-3-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 43818563
N-[(2,5-dimethoxyphenyl)methyl]-N-[(2-ethylpyrimidin-5-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 51497332
2-methoxy-5-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]phenol
CID 43818704
5-[[(2,4-dimethoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]pyrimidin-2-amine
CID 46962834
3-[[(2,5-dimethoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-6-methylchromen-4-one
CID 16673234
N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-4-ylmethyl)methanamine
CID 99932972
N-[(4-fluorophenyl)methyl]-N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 46962825
N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-(oxolan-2-yl)-N-(pyridin-4-ylmethyl)methanamine
CID 77086337
1-[4-[[(2,4-dimethoxyphenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]phenyl]pyrrolidin-2-one
CID 51497174
N-[(2,4-dimethoxyphenyl)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 51497130
N-[(2-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 60500846
N-[(2,4-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)-N-(oxolan-2-ylmethyl)methanamine
CID 46962832

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-N-(furan-3-ylmethyl)-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-N-(furan-3-ylmethyl)-1-(oxolan-2-yl)methanamine (CID 43818695) is N-[(2,5-dimethoxyphenyl)methyl]-N-(furan-3-ylmethyl)-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-N-(furan-3-ylmethyl)-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-N-(furan-3-ylmethyl)-1-(oxolan-2-yl)methanamine is COc1ccc(OC)c(CN(Cc2ccoc2)CC2CCCO2)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-N-(furan-3-ylmethyl)-1-(oxolan-2-yl)methanamine?
The InChIKey is QFHVUPZWYAITBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4/c1-21-17-5-6-19(22-2)16(10-17)12-20(11-15-7-9-23-14-15)13-18-4-3-8-24-18/h5-7,9-10,14,18H,3-4,8,11-13H2,1-2H3.
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-N-(furan-3-ylmethyl)-1-(oxolan-2-yl)methanamine?
N-[(2,5-dimethoxyphenyl)methyl]-N-(furan-3-ylmethyl)-1-(oxolan-2-yl)methanamine has a molecular weight of 331.41 g/mol, XLogP of 3.48, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-N-(furan-3-ylmethyl)-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 43818695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).