N-[(2,4-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)-N-(oxolan-2-ylmethyl)methanamine

C19H29NO4 — CID 46962832

IUPACN-[(2,4-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)-N-(oxolan-2-ylmethyl)methanamine
SMILESCOc1ccc(CN(CC2CCOC2)CC2CCCO2)c(OC)c1
InChIInChI=1S/C19H29NO4/c1-21-17-6-5-16(19(10-17)22-2)12-20(11-15-7-9-23-14-15)13-18-4-3-8-24-18/h5-6,10,15,18H,3-4,7-9,11-14H2,1-2H3
InChIKeyODTFRTHVZFTDRK-UHFFFAOYSA-N
MW335.44 g/mol
LogP2.72
Rot. Bonds8

About N-[(2,4-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)-N-(oxolan-2-ylmethyl)methanamine

N-[(2,4-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)-N-(oxolan-2-ylmethyl)methanamine (PubChem CID 46962832) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)-N-(oxolan-2-ylmethyl)methanamine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)-N-(oxolan-2-ylmethyl)methanamine
PubChem CID46962832
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)-N-(oxolan-2-ylmethyl)methanamine
SMILESCOc1ccc(CN(CC2CCOC2)CC2CCCO2)c(OC)c1
InChIInChI=1S/C19H29NO4/c1-21-17-6-5-16(19(10-17)22-2)12-20(11-15-7-9-23-14-15)13-18-4-3-8-24-18/h5-6,10,15,18H,3-4,7-9,11-14H2,1-2H3
InChIKeyODTFRTHVZFTDRK-UHFFFAOYSA-N
XLogP2.72
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-cyclopentylpiperidin-4-yl)-N-[(2,4-dimethoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine
CID 25452111
N-[(2,4-dimethoxyphenyl)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 51497130
5-[[(2,4-dimethoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]pyrimidin-2-amine
CID 46962834
4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-3-methoxyaniline
CID 107208296
N-[(2,4-dimethoxyphenyl)methyl]-1-(oxolan-2-yl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine
CID 16672025
1-[4-[[(2,4-dimethoxyphenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]phenyl]pyrrolidin-2-one
CID 51497174
N-[(2,5-dimethoxyphenyl)methyl]-N-(furan-3-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 43818695
3-(4-bromophenyl)-1-[(2,4-dimethoxyphenyl)methyl]-1-(oxolan-2-ylmethyl)thiourea
CID 4988126
(2,4-dimethoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]azanium
CID 6942240
N-[(2,5-dimethoxyphenyl)methyl]-N-[(2-ethylpyrimidin-5-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 51497332
N-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 91769778
1-cyclopropyl-3-[(2,4-dimethoxyphenyl)methyl]-1-(oxolan-3-ylmethyl)urea
CID 87039140

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)-N-(oxolan-2-ylmethyl)methanamine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)-N-(oxolan-2-ylmethyl)methanamine (CID 46962832) is N-[(2,4-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)-N-(oxolan-2-ylmethyl)methanamine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)-N-(oxolan-2-ylmethyl)methanamine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)-N-(oxolan-2-ylmethyl)methanamine is COc1ccc(CN(CC2CCOC2)CC2CCCO2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)-N-(oxolan-2-ylmethyl)methanamine?
The InChIKey is ODTFRTHVZFTDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO4/c1-21-17-6-5-16(19(10-17)22-2)12-20(11-15-7-9-23-14-15)13-18-4-3-8-24-18/h5-6,10,15,18H,3-4,7-9,11-14H2,1-2H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)-N-(oxolan-2-ylmethyl)methanamine?
N-[(2,4-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)-N-(oxolan-2-ylmethyl)methanamine has a molecular weight of 335.44 g/mol, XLogP of 2.72, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)-N-(oxolan-2-ylmethyl)methanamine is sourced from PubChem (CID 46962832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).