1-[2-(5-tert-butyl-2-methylphenoxy)ethyl]-N,N-dimethylpyrrolidin-3-amine

C19H32N2O — CID 170113334

IUPAC1-[2-(5-tert-butyl-2-methylphenoxy)ethyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCc1ccc(C(C)(C)C)cc1OCCN1CCC(N(C)C)C1
InChIInChI=1S/C19H32N2O/c1-15-7-8-16(19(2,3)4)13-18(15)22-12-11-21-10-9-17(14-21)20(5)6/h7-8,13,17H,9-12,14H2,1-6H3
InChIKeySAOFFWPBGVNLRT-UHFFFAOYSA-N
MW304.48 g/mol
LogP3.31
Rot. Bonds5

About 1-[2-(5-tert-butyl-2-methylphenoxy)ethyl]-N,N-dimethylpyrrolidin-3-amine

1-[2-(5-tert-butyl-2-methylphenoxy)ethyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 170113334) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is 1-[2-(5-tert-butyl-2-methylphenoxy)ethyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-(5-tert-butyl-2-methylphenoxy)ethyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID170113334
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC Name1-[2-(5-tert-butyl-2-methylphenoxy)ethyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCc1ccc(C(C)(C)C)cc1OCCN1CCC(N(C)C)C1
InChIInChI=1S/C19H32N2O/c1-15-7-8-16(19(2,3)4)13-18(15)22-12-11-21-10-9-17(14-21)20(5)6/h7-8,13,17H,9-12,14H2,1-6H3
InChIKeySAOFFWPBGVNLRT-UHFFFAOYSA-N
XLogP3.31
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-chloro-5-methylphenoxy)ethyl]-N,N-dimethylpiperidin-3-amine
CID 142946036
1-[2-(4-aminophenoxy)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166050
1-[2-(2,5-dimethylphenoxy)ethyl]-3-methylpiperidin-4-ol
CID 114681408
2-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethoxy]benzenecarbothioamide
CID 63164009
1-[(4-tert-butylphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 77453260
1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166233
3-[2-(2,5-dimethylphenoxy)ethyl]-3,9-diazabicyclo[4.2.1]nonane
CID 81490545
methyl 2-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethoxy]benzoate
CID 146418738
[4-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethoxy]phenyl]boronic acid
CID 63164732
1-[2-(2,5-dimethylphenoxy)ethyl]piperidin-3-amine
CID 61295726
(3S)-1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-3-amine
CID 81491707
1-[2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]ethyl]-4-methylpiperidine;oxalic acid
CID 2924003

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-tert-butyl-2-methylphenoxy)ethyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[2-(5-tert-butyl-2-methylphenoxy)ethyl]-N,N-dimethylpyrrolidin-3-amine (CID 170113334) is 1-[2-(5-tert-butyl-2-methylphenoxy)ethyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-(5-tert-butyl-2-methylphenoxy)ethyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-(5-tert-butyl-2-methylphenoxy)ethyl]-N,N-dimethylpyrrolidin-3-amine is Cc1ccc(C(C)(C)C)cc1OCCN1CCC(N(C)C)C1.
What is the InChIKey of 1-[2-(5-tert-butyl-2-methylphenoxy)ethyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is SAOFFWPBGVNLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O/c1-15-7-8-16(19(2,3)4)13-18(15)22-12-11-21-10-9-17(14-21)20(5)6/h7-8,13,17H,9-12,14H2,1-6H3.
What are the key properties of 1-[2-(5-tert-butyl-2-methylphenoxy)ethyl]-N,N-dimethylpyrrolidin-3-amine?
1-[2-(5-tert-butyl-2-methylphenoxy)ethyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 304.48 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-tert-butyl-2-methylphenoxy)ethyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 170113334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).