1-[2-(4-tert-butylphenoxy)ethyl]-4-methylpyrrolidin-3-amine

C17H28N2O — CID 103576633

IUPAC1-[2-(4-tert-butylphenoxy)ethyl]-4-methylpyrrolidin-3-amine
SMILESCC1CN(CCOc2ccc(C(C)(C)C)cc2)CC1N
InChIInChI=1S/C17H28N2O/c1-13-11-19(12-16(13)18)9-10-20-15-7-5-14(6-8-15)17(2,3)4/h5-8,13,16H,9-12,18H2,1-4H3
InChIKeyZCLBATGHYMCWBV-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.64
Rot. Bonds4

About 1-[2-(4-tert-butylphenoxy)ethyl]-4-methylpyrrolidin-3-amine

1-[2-(4-tert-butylphenoxy)ethyl]-4-methylpyrrolidin-3-amine (PubChem CID 103576633) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-[2-(4-tert-butylphenoxy)ethyl]-4-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-(4-tert-butylphenoxy)ethyl]-4-methylpyrrolidin-3-amine
PubChem CID103576633
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-[2-(4-tert-butylphenoxy)ethyl]-4-methylpyrrolidin-3-amine
SMILESCC1CN(CCOc2ccc(C(C)(C)C)cc2)CC1N
InChIInChI=1S/C17H28N2O/c1-13-11-19(12-16(13)18)9-10-20-15-7-5-14(6-8-15)17(2,3)4/h5-8,13,16H,9-12,18H2,1-4H3
InChIKeyZCLBATGHYMCWBV-UHFFFAOYSA-N
XLogP2.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-amine
CID 103576883
1-[2-(4-ethoxyphenoxy)ethyl]-4-methylpyrrolidin-3-amine
CID 103576954
4-methyl-1-(3-phenoxypropyl)pyrrolidin-3-amine
CID 103577059
4-methyl-1-[2-(2-methylphenoxy)ethyl]pyrrolidin-3-amine
CID 103576944
1-[3-(3,5-dimethylphenoxy)propyl]-4-methylpyrrolidin-3-amine
CID 103576527
[1-[2-(4-tert-butylphenoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine
CID 115486086
1-[2-(4-methoxyphenyl)ethyl]-4-methylpyrrolidin-3-amine
CID 103576951
1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81463918
(3S,4S)-4-methyl-1-[2-(4-methylphenoxy)ethyl]pyrrolidine-3-carboxylic acid
CID 98534348
(2S)-1-[2-(4-tert-butylphenoxy)ethoxy]-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-ol
CID 51422962
1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine
CID 120909131
1-[2-[2-(4-tert-butylphenoxy)ethoxy]ethyl]-4-methylpiperazine
CID 2270536

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butylphenoxy)ethyl]-4-methylpyrrolidin-3-amine?
The IUPAC name of 1-[2-(4-tert-butylphenoxy)ethyl]-4-methylpyrrolidin-3-amine (CID 103576633) is 1-[2-(4-tert-butylphenoxy)ethyl]-4-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-(4-tert-butylphenoxy)ethyl]-4-methylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-(4-tert-butylphenoxy)ethyl]-4-methylpyrrolidin-3-amine is CC1CN(CCOc2ccc(C(C)(C)C)cc2)CC1N.
What is the InChIKey of 1-[2-(4-tert-butylphenoxy)ethyl]-4-methylpyrrolidin-3-amine?
The InChIKey is ZCLBATGHYMCWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13-11-19(12-16(13)18)9-10-20-15-7-5-14(6-8-15)17(2,3)4/h5-8,13,16H,9-12,18H2,1-4H3.
What are the key properties of 1-[2-(4-tert-butylphenoxy)ethyl]-4-methylpyrrolidin-3-amine?
1-[2-(4-tert-butylphenoxy)ethyl]-4-methylpyrrolidin-3-amine has a molecular weight of 276.42 g/mol, XLogP of 2.64, 4 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]-4-methylpyrrolidin-3-amine is sourced from PubChem (CID 103576633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).