3-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N-methylpyridin-2-amine

C20H27N3O2 — CID 46954495

IUPAC3-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N-methylpyridin-2-amine
SMILESCNc1ncccc1CN(Cc1ccc(OC)cc1)CC1CCCO1
InChIInChI=1S/C20H27N3O2/c1-21-20-17(5-3-11-22-20)14-23(15-19-6-4-12-25-19)13-16-7-9-18(24-2)10-8-16/h3,5,7-11,19H,4,6,12-15H2,1-2H3,(H,21,22)
InChIKeyFUYBMOWJWZMQHQ-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.31
Rot. Bonds8

About 3-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N-methylpyridin-2-amine

3-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N-methylpyridin-2-amine (PubChem CID 46954495) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 3-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N-methylpyridin-2-amine
PubChem CID46954495
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name3-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N-methylpyridin-2-amine
SMILESCNc1ncccc1CN(Cc1ccc(OC)cc1)CC1CCCO1
InChIInChI=1S/C20H27N3O2/c1-21-20-17(5-3-11-22-20)14-23(15-19-6-4-12-25-19)13-16-7-9-18(24-2)10-8-16/h3,5,7-11,19H,4,6,12-15H2,1-2H3,(H,21,22)
InChIKeyFUYBMOWJWZMQHQ-UHFFFAOYSA-N
XLogP3.31
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-3-[[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]pyridin-2-amine
CID 46983238
N-[(4-methoxyphenyl)methyl]-1-[(2R)-oxolan-2-yl]-N-[(1-propan-2-ylimidazol-2-yl)methyl]methanamine
CID 125177897
5-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]pyrimidin-2-amine
CID 46962866
N-[(4-methoxyphenyl)methyl]-N-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 92595723
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 43818718
2-methoxy-5-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]phenol
CID 43818704
N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 51493246
N-[(2-methoxyphenyl)methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 95275137
5-[[(3,4-dimethoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N-methylpyrimidin-2-amine
CID 16677248
N-[(2,5-dimethoxyphenyl)methyl]-N-[(2-ethylpyrimidin-5-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 51497332
N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-(oxolan-2-yl)-N-(pyridin-4-ylmethyl)methanamine
CID 77086337
N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-4-ylmethyl)methanamine
CID 99932972

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N-methylpyridin-2-amine?
The IUPAC name of 3-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N-methylpyridin-2-amine (CID 46954495) is 3-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 3-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 3-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N-methylpyridin-2-amine is CNc1ncccc1CN(Cc1ccc(OC)cc1)CC1CCCO1.
What is the InChIKey of 3-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N-methylpyridin-2-amine?
The InChIKey is FUYBMOWJWZMQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-21-20-17(5-3-11-22-20)14-23(15-19-6-4-12-25-19)13-16-7-9-18(24-2)10-8-16/h3,5,7-11,19H,4,6,12-15H2,1-2H3,(H,21,22).
What are the key properties of 3-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N-methylpyridin-2-amine?
3-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N-methylpyridin-2-amine has a molecular weight of 341.46 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 46954495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).