2-(4-tert-butylphenoxy)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine

C18H30N2O — CID 106613622

IUPAC2-(4-tert-butylphenoxy)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCN(CCOc1ccc(C(C)(C)C)cc1)CC1CCCN1
InChIInChI=1S/C18H30N2O/c1-18(2,3)15-7-9-17(10-8-15)21-13-12-20(4)14-16-6-5-11-19-16/h7-10,16,19H,5-6,11-14H2,1-4H3
InChIKeyZDFNNSQNUKDSSA-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.05
Rot. Bonds6

About 2-(4-tert-butylphenoxy)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine

2-(4-tert-butylphenoxy)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine (PubChem CID 106613622) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine
PubChem CID106613622
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-(4-tert-butylphenoxy)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCN(CCOc1ccc(C(C)(C)C)cc1)CC1CCCN1
InChIInChI=1S/C18H30N2O/c1-18(2,3)15-7-9-17(10-8-15)21-13-12-20(4)14-16-6-5-11-19-16/h7-10,16,19H,5-6,11-14H2,1-4H3
InChIKeyZDFNNSQNUKDSSA-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[methyl(pyrrolidin-2-ylmethyl)amino]ethoxy]benzonitrile
CID 106613675
2-[3-(4-tert-butylphenoxy)propyl]pyrrolidine
CID 62479956
N-methyl-3-phenoxy-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106635115
2-[4-[(E)-1-(4-iodophenyl)-2-phenylbut-1-enyl]phenoxy]-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 174499789
N-[2-(4-bromophenoxy)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106617262
2-(4-tert-butylphenoxy)-N,N-dimethylethanamine
CID 5261951
2-(4-tert-butylphenoxy)-N-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
CID 134582807
N-ethyl-2-(4-fluorophenoxy)-N-(piperidin-2-ylmethyl)ethanamine
CID 106632404
N-ethyl-3-(4-fluorophenoxy)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106614892
3-methoxy-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-1-amine
CID 102819506
N-[2-(4-chlorophenoxy)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106632189
N-[3-(4-fluorophenoxy)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 103519918

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine (CID 106613622) is 2-(4-tert-butylphenoxy)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine is CN(CCOc1ccc(C(C)(C)C)cc1)CC1CCCN1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine?
The InChIKey is ZDFNNSQNUKDSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-18(2,3)15-7-9-17(10-8-15)21-13-12-20(4)14-16-6-5-11-19-16/h7-10,16,19H,5-6,11-14H2,1-4H3.
What are the key properties of 2-(4-tert-butylphenoxy)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine?
2-(4-tert-butylphenoxy)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine has a molecular weight of 290.45 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-(4-tert-butylphenoxy)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 106613622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).