N-[(2-methoxyphenyl)methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(oxolan-2-yl)methanamine

C19H30N2O2 — CID 120898763

IUPACN-[(2-methoxyphenyl)methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCOc1ccccc1CN(CC1CCCO1)CC1(C)CCNC1
InChIInChI=1S/C19H30N2O2/c1-19(9-10-20-14-19)15-21(13-17-7-5-11-23-17)12-16-6-3-4-8-18(16)22-2/h3-4,6,8,17,20H,5,7,9-15H2,1-2H3
InChIKeyJBJCCUBOBNIRBO-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.68
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(oxolan-2-yl)methanamine

N-[(2-methoxyphenyl)methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(oxolan-2-yl)methanamine (PubChem CID 120898763) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(oxolan-2-yl)methanamine
PubChem CID120898763
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-[(2-methoxyphenyl)methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCOc1ccccc1CN(CC1CCCO1)CC1(C)CCNC1
InChIInChI=1S/C19H30N2O2/c1-19(9-10-20-14-19)15-21(13-17-7-5-11-23-17)12-16-6-3-4-8-18(16)22-2/h3-4,6,8,17,20H,5,7,9-15H2,1-2H3
InChIKeyJBJCCUBOBNIRBO-UHFFFAOYSA-N
XLogP2.68
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(oxolan-2-yl)methanamine (CID 120898763) is N-[(2-methoxyphenyl)methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(oxolan-2-yl)methanamine is COc1ccccc1CN(CC1CCCO1)CC1(C)CCNC1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(oxolan-2-yl)methanamine?
The InChIKey is JBJCCUBOBNIRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-19(9-10-20-14-19)15-21(13-17-7-5-11-23-17)12-16-6-3-4-8-18(16)22-2/h3-4,6,8,17,20H,5,7,9-15H2,1-2H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(oxolan-2-yl)methanamine?
N-[(2-methoxyphenyl)methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(oxolan-2-yl)methanamine has a molecular weight of 318.46 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 120898763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).