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

C15H24N2O — CID 103575182

IUPAC1-[1-(2-ethoxyphenyl)ethyl]-4-methylpyrrolidin-3-amine
SMILESCCOc1ccccc1C(C)N1CC(C)C(N)C1
InChIInChI=1S/C15H24N2O/c1-4-18-15-8-6-5-7-13(15)12(3)17-9-11(2)14(16)10-17/h5-8,11-12,14H,4,9-10,16H2,1-3H3
InChIKeyZRNIPYLRZNRFBH-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.43
Rot. Bonds4

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

1-[1-(2-ethoxyphenyl)ethyl]-4-methylpyrrolidin-3-amine (PubChem CID 103575182) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[1-(2-ethoxyphenyl)ethyl]-4-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[1-(2-ethoxyphenyl)ethyl]-4-methylpyrrolidin-3-amine
PubChem CID103575182
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[1-(2-ethoxyphenyl)ethyl]-4-methylpyrrolidin-3-amine
SMILESCCOc1ccccc1C(C)N1CC(C)C(N)C1
InChIInChI=1S/C15H24N2O/c1-4-18-15-8-6-5-7-13(15)12(3)17-9-11(2)14(16)10-17/h5-8,11-12,14H,4,9-10,16H2,1-3H3
InChIKeyZRNIPYLRZNRFBH-UHFFFAOYSA-N
XLogP2.43
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-ethoxyphenyl)ethyl]azetidin-3-amine
CID 65244316
1-[1-(2-ethoxyphenyl)ethyl]piperidin-4-amine
CID 43130865
4-methyl-1-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-amine
CID 103575451
1-[(1S)-1-(2-ethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171275548
6-[1-(2-ethoxyphenyl)ethyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678293
1-(2-ethoxyphenyl)-N-[(2-methylcyclopentyl)methyl]ethanamine
CID 107416791
(3-amino-4-methylpyrrolidin-1-yl)-(2-ethoxyphenyl)methanone
CID 103576058
(2-ethoxyphenyl)-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 79664711
1-[2-amino-2-(2-ethoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81452250
4-chloro-1-[1-(2-ethoxyphenyl)ethyl]pyrrolidin-2-one
CID 168686960
1-[2-chloro-2-(2-ethoxyphenyl)ethyl]-3,5-dimethylpiperidine
CID 82215146
1-(2-ethoxyphenyl)-2,3-dimethylbutan-1-amine
CID 115853740

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethoxyphenyl)ethyl]-4-methylpyrrolidin-3-amine?
The IUPAC name of 1-[1-(2-ethoxyphenyl)ethyl]-4-methylpyrrolidin-3-amine (CID 103575182) is 1-[1-(2-ethoxyphenyl)ethyl]-4-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-[1-(2-ethoxyphenyl)ethyl]-4-methylpyrrolidin-3-amine?
The canonical SMILES for 1-[1-(2-ethoxyphenyl)ethyl]-4-methylpyrrolidin-3-amine is CCOc1ccccc1C(C)N1CC(C)C(N)C1.
What is the InChIKey of 1-[1-(2-ethoxyphenyl)ethyl]-4-methylpyrrolidin-3-amine?
The InChIKey is ZRNIPYLRZNRFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-18-15-8-6-5-7-13(15)12(3)17-9-11(2)14(16)10-17/h5-8,11-12,14H,4,9-10,16H2,1-3H3.
What are the key properties of 1-[1-(2-ethoxyphenyl)ethyl]-4-methylpyrrolidin-3-amine?
1-[1-(2-ethoxyphenyl)ethyl]-4-methylpyrrolidin-3-amine has a molecular weight of 248.37 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethoxyphenyl)ethyl]-4-methylpyrrolidin-3-amine is sourced from PubChem (CID 103575182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).