2-methyl-N-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-2-amine

C17H28N2O — CID 62438277

IUPAC2-methyl-N-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1cccc(OCCN2CCCC2)c1
InChIInChI=1S/C17H28N2O/c1-17(2,3)18-14-15-7-6-8-16(13-15)20-12-11-19-9-4-5-10-19/h6-8,13,18H,4-5,9-12,14H2,1-3H3
InChIKeyXHQWRESGBJVKGQ-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.05
Rot. Bonds6

About 2-methyl-N-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-2-amine

2-methyl-N-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-2-amine (PubChem CID 62438277) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-methyl-N-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-2-amine
PubChem CID62438277
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-methyl-N-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1cccc(OCCN2CCCC2)c1
InChIInChI=1S/C17H28N2O/c1-17(2,3)18-14-15-7-6-8-16(13-15)20-12-11-19-9-4-5-10-19/h6-8,13,18H,4-5,9-12,14H2,1-3H3
InChIKeyXHQWRESGBJVKGQ-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine
CID 170714078
N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 54847698
2-methyl-N-[[4-(2-piperidin-1-ylethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62297544
1-[3-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 62419745
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-2-methylpropan-2-amine
CID 62438354
2-methyl-N-[[3-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-2-amine
CID 64553938
2-methyl-N-[[3-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]propan-1-amine
CID 63055726
2-methyl-N-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 62446843
N-[(3-propoxyphenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 60957364
N-[(3-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 60872169
N-methyl-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine
CID 60883623
4-[3-[(tert-butylamino)methyl]phenoxy]butan-2-ol
CID 113398854

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-2-amine (CID 62438277) is 2-methyl-N-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-2-amine is CC(C)(C)NCc1cccc(OCCN2CCCC2)c1.
What is the InChIKey of 2-methyl-N-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-2-amine?
The InChIKey is XHQWRESGBJVKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-17(2,3)18-14-15-7-6-8-16(13-15)20-12-11-19-9-4-5-10-19/h6-8,13,18H,4-5,9-12,14H2,1-3H3.
What are the key properties of 2-methyl-N-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-2-amine?
2-methyl-N-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-2-amine has a molecular weight of 276.42 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 62438277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).