2-(2,2-dimethylpyrrolidin-1-yl)-1-(3-methoxyphenyl)ethanamine

C15H24N2O — CID 55161156

IUPAC2-(2,2-dimethylpyrrolidin-1-yl)-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(N)CN2CCCC2(C)C)c1
InChIInChI=1S/C15H24N2O/c1-15(2)8-5-9-17(15)11-14(16)12-6-4-7-13(10-12)18-3/h4,6-7,10,14H,5,8-9,11,16H2,1-3H3
InChIKeyDNXHTFCBGQTITK-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.57
Rot. Bonds4

About 2-(2,2-dimethylpyrrolidin-1-yl)-1-(3-methoxyphenyl)ethanamine

2-(2,2-dimethylpyrrolidin-1-yl)-1-(3-methoxyphenyl)ethanamine (PubChem CID 55161156) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(2,2-dimethylpyrrolidin-1-yl)-1-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,2-dimethylpyrrolidin-1-yl)-1-(3-methoxyphenyl)ethanamine
PubChem CID55161156
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-(2,2-dimethylpyrrolidin-1-yl)-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(N)CN2CCCC2(C)C)c1
InChIInChI=1S/C15H24N2O/c1-15(2)8-5-9-17(15)11-14(16)12-6-4-7-13(10-12)18-3/h4,6-7,10,14H,5,8-9,11,16H2,1-3H3
InChIKeyDNXHTFCBGQTITK-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2-dimethylpyrrolidin-1-yl)-1-(4-fluorophenyl)ethanamine
CID 107521139
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(3-methoxyphenyl)ethanamine
CID 65320749
1-(3-methoxyphenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 55249009
1-(3-methoxyphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 114537738
1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride
CID 138109115
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(3-methoxyphenyl)ethanamine
CID 79938583
1-[2-amino-2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 16786895
2-cyclopropyl-1-(3-methoxyphenyl)ethanamine
CID 55295548
1-[2-amino-2-(3-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 16788275
2-imidazol-1-yl-1-(3-methoxyphenyl)ethanamine
CID 16641645
(1S)-1,2-bis(3-methoxyphenyl)ethanamine
CID 40618709
3-[2-amino-2-(3-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-one
CID 63770404

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpyrrolidin-1-yl)-1-(3-methoxyphenyl)ethanamine?
The IUPAC name of 2-(2,2-dimethylpyrrolidin-1-yl)-1-(3-methoxyphenyl)ethanamine (CID 55161156) is 2-(2,2-dimethylpyrrolidin-1-yl)-1-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(2,2-dimethylpyrrolidin-1-yl)-1-(3-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(2,2-dimethylpyrrolidin-1-yl)-1-(3-methoxyphenyl)ethanamine is COc1cccc(C(N)CN2CCCC2(C)C)c1.
What is the InChIKey of 2-(2,2-dimethylpyrrolidin-1-yl)-1-(3-methoxyphenyl)ethanamine?
The InChIKey is DNXHTFCBGQTITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-15(2)8-5-9-17(15)11-14(16)12-6-4-7-13(10-12)18-3/h4,6-7,10,14H,5,8-9,11,16H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpyrrolidin-1-yl)-1-(3-methoxyphenyl)ethanamine?
2-(2,2-dimethylpyrrolidin-1-yl)-1-(3-methoxyphenyl)ethanamine has a molecular weight of 248.37 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpyrrolidin-1-yl)-1-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 55161156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).