2-(4-ethoxyphenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine

C15H24N2O — CID 61224408

IUPAC2-(4-ethoxyphenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine
SMILESCCOc1ccc(C(CN)N2CCC(C)C2)cc1
InChIInChI=1S/C15H24N2O/c1-3-18-14-6-4-13(5-7-14)15(10-16)17-9-8-12(2)11-17/h4-7,12,15H,3,8-11,16H2,1-2H3
InChIKeyAKGASHGYMCBXAT-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.43
Rot. Bonds5

About 2-(4-ethoxyphenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine

2-(4-ethoxyphenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine (PubChem CID 61224408) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine
PubChem CID61224408
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-(4-ethoxyphenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine
SMILESCCOc1ccc(C(CN)N2CCC(C)C2)cc1
InChIInChI=1S/C15H24N2O/c1-3-18-14-6-4-13(5-7-14)15(10-16)17-9-8-12(2)11-17/h4-7,12,15H,3,8-11,16H2,1-2H3
InChIKeyAKGASHGYMCBXAT-UHFFFAOYSA-N
XLogP2.43
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

2-(4-ethoxyphenyl)-2-(3-ethylpiperidin-1-yl)ethanamine
CID 43584286
2-(3,4-difluorophenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine
CID 61225182
1-[2-amino-1-(4-ethoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81450937
2-(3-methylpyrrolidin-1-yl)-2-[4-(trifluoromethylsulfanyl)phenyl]ethanamine
CID 61225963
2-(furan-3-yl)-2-(3-methylpyrrolidin-1-yl)ethanamine
CID 63208703
(2R)-2-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanamine
CID 9160808
2-(2-ethylphenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine
CID 55067304
2-(4-ethoxyphenyl)-2-(1,4-oxazepan-4-yl)ethanamine
CID 55152004
1-[2-amino-1-(3-ethoxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166417
2-(4-tert-butylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 16642740
1-(4-ethoxyphenyl)-3-methylpyrrolidine
CID 143805515
4-amino-3-(4-ethoxyphenyl)-1-(4-methylpiperidin-1-yl)butan-1-one
CID 82138981

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine?
The IUPAC name of 2-(4-ethoxyphenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine (CID 61224408) is 2-(4-ethoxyphenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 2-(4-ethoxyphenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine?
The canonical SMILES for 2-(4-ethoxyphenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine is CCOc1ccc(C(CN)N2CCC(C)C2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine?
The InChIKey is AKGASHGYMCBXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-18-14-6-4-13(5-7-14)15(10-16)17-9-8-12(2)11-17/h4-7,12,15H,3,8-11,16H2,1-2H3.
What are the key properties of 2-(4-ethoxyphenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine?
2-(4-ethoxyphenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine has a molecular weight of 248.37 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 61224408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).