[1-[2-(4-tert-butylphenoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine

C18H30N2O — CID 115486086

IUPAC[1-[2-(4-tert-butylphenoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine
SMILESCC1CC(CN)CN1CCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H30N2O/c1-14-11-15(12-19)13-20(14)9-10-21-17-7-5-16(6-8-17)18(2,3)4/h5-8,14-15H,9-13,19H2,1-4H3
InChIKeyGRKBGWXNXCWVGW-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.03
Rot. Bonds5

About [1-[2-(4-tert-butylphenoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine

[1-[2-(4-tert-butylphenoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine (PubChem CID 115486086) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is [1-[2-(4-tert-butylphenoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(4-tert-butylphenoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine
PubChem CID115486086
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name[1-[2-(4-tert-butylphenoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine
SMILESCC1CC(CN)CN1CCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H30N2O/c1-14-11-15(12-19)13-20(14)9-10-21-17-7-5-16(6-8-17)18(2,3)4/h5-8,14-15H,9-13,19H2,1-4H3
InChIKeyGRKBGWXNXCWVGW-UHFFFAOYSA-N
XLogP3.03
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-(4-ethoxyphenoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine
CID 115486226
1-[2-(4-tert-butylphenoxy)ethyl]-4-methylpyrrolidin-3-amine
CID 103576633
2,4-dimethyl-1-[2-(4-methylphenoxy)ethyl]pyrrolidine
CID 142818530
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]ethanamine
CID 130892102
(2R)-2-methyl-1-(2-phenoxyethyl)aziridine
CID 122210723
[1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-5-methylpyrrolidin-3-yl]methanamine
CID 115486092
[1-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine
CID 120966626
[1-[[4-(difluoromethoxy)phenyl]methyl]-5-methylpyrrolidin-3-yl]methanamine
CID 115486318
[1-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120966625
[5-methyl-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methanamine
CID 120842986
1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine-2-carboxylic acid
CID 43442010
[4-methyl-1-[2-(4-methylphenoxy)ethyl]piperazin-2-yl]methanamine
CID 80506155

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-tert-butylphenoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[2-(4-tert-butylphenoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine (CID 115486086) is [1-[2-(4-tert-butylphenoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[2-(4-tert-butylphenoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[2-(4-tert-butylphenoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine is CC1CC(CN)CN1CCOc1ccc(C(C)(C)C)cc1.
What is the InChIKey of [1-[2-(4-tert-butylphenoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine?
The InChIKey is GRKBGWXNXCWVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-14-11-15(12-19)13-20(14)9-10-21-17-7-5-16(6-8-17)18(2,3)4/h5-8,14-15H,9-13,19H2,1-4H3.
What are the key properties of [1-[2-(4-tert-butylphenoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine?
[1-[2-(4-tert-butylphenoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine has a molecular weight of 290.45 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-tert-butylphenoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 115486086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).