N-[[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine

C17H28N2O — CID 62512223

IUPACN-[[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
SMILESCOc1ccccc1CN1CCC(CNCC(C)C)C1
InChIInChI=1S/C17H28N2O/c1-14(2)10-18-11-15-8-9-19(12-15)13-16-6-4-5-7-17(16)20-3/h4-7,14-15,18H,8-13H2,1-3H3
InChIKeyXCBDHWQQHOIYLO-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.76
Rot. Bonds7

About N-[[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine

N-[[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62512223) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID62512223
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
SMILESCOc1ccccc1CN1CCC(CNCC(C)C)C1
InChIInChI=1S/C17H28N2O/c1-14(2)10-18-11-15-8-9-19(12-15)13-16-6-4-5-7-17(16)20-3/h4-7,14-15,18H,8-13H2,1-3H3
InChIKeyXCBDHWQQHOIYLO-UHFFFAOYSA-N
XLogP2.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
CID 55081574
N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]propan-1-amine
CID 62582034
N-[(2-methoxyphenyl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 60856631
1-[(2-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 24904459
N-[[1-[[2-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]methyl]ethanamine
CID 54794563
2-methyl-N-[[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 55081248
1-[(2-methoxyphenyl)methyl]piperidin-4-amine
CID 70277411
N-[[1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]ethanamine
CID 63363167
3-(bromomethyl)-1-[(2-methoxyphenyl)methyl]piperidine
CID 80680227
3-benzhydryl-1-[(2-methoxyphenyl)methyl]piperidin-4-amine
CID 69056339
N-[[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
CID 115990267
1-(2-methoxyphenyl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 119165105

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine (CID 62512223) is N-[[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine is COc1ccccc1CN1CCC(CNCC(C)C)C1.
What is the InChIKey of N-[[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is XCBDHWQQHOIYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14(2)10-18-11-15-8-9-19(12-15)13-16-6-4-5-7-17(16)20-3/h4-7,14-15,18H,8-13H2,1-3H3.
What are the key properties of N-[[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine?
N-[[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62512223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).