2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(2-ethoxyphenyl)ethanamine

C17H29N3O — CID 62884895

IUPAC2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(2-ethoxyphenyl)ethanamine
SMILESCCOc1ccccc1C(CN)N1CCCC1CN(C)C
InChIInChI=1S/C17H29N3O/c1-4-21-17-10-6-5-9-15(17)16(12-18)20-11-7-8-14(20)13-19(2)3/h5-6,9-10,14,16H,4,7-8,11-13,18H2,1-3H3
InChIKeyCQOLPAQUOFNNKW-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.11
Rot. Bonds7

About 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(2-ethoxyphenyl)ethanamine

2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(2-ethoxyphenyl)ethanamine (PubChem CID 62884895) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(2-ethoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(2-ethoxyphenyl)ethanamine
PubChem CID62884895
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(2-ethoxyphenyl)ethanamine
SMILESCCOc1ccccc1C(CN)N1CCCC1CN(C)C
InChIInChI=1S/C17H29N3O/c1-4-21-17-10-6-5-9-15(17)16(12-18)20-11-7-8-14(20)13-19(2)3/h5-6,9-10,14,16H,4,7-8,11-13,18H2,1-3H3
InChIKeyCQOLPAQUOFNNKW-UHFFFAOYSA-N
XLogP2.11
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[2-amino-1-(2-methoxyphenyl)ethyl]piperidin-2-yl]methanol
CID 55021694
2-(4-chloro-2-fluorophenyl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine
CID 114843143
(2R)-2-(2-ethoxyphenyl)-2-piperidin-1-ylethanamine
CID 93489676
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(3-fluorophenyl)ethanamine
CID 62885714
2-(3-chlorophenyl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine
CID 62886589
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine
CID 104822274
2-(2-ethylpyrrolidin-1-yl)-2-(2-fluorophenyl)ethanamine
CID 60974674
N-cyclopropyl-1-(2-ethoxyphenyl)-N-methylethane-1,2-diamine
CID 43264757
2-(2-methylpyrrolidin-1-yl)-2-[2-(trifluoromethoxy)phenyl]ethanamine
CID 60973440
2-(2-ethoxyphenyl)-2-(1-methylpiperidin-4-yl)ethanamine
CID 83974398
2-(4,5-dibromofuran-2-yl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine
CID 62887499
2-(2,5-dimethylmorpholin-4-yl)-2-(2-ethoxyphenyl)ethanamine
CID 43544351

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(2-ethoxyphenyl)ethanamine?
The IUPAC name of 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(2-ethoxyphenyl)ethanamine (CID 62884895) is 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(2-ethoxyphenyl)ethanamine.
What is the SMILES notation for 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(2-ethoxyphenyl)ethanamine?
The canonical SMILES for 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(2-ethoxyphenyl)ethanamine is CCOc1ccccc1C(CN)N1CCCC1CN(C)C.
What is the InChIKey of 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(2-ethoxyphenyl)ethanamine?
The InChIKey is CQOLPAQUOFNNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-21-17-10-6-5-9-15(17)16(12-18)20-11-7-8-14(20)13-19(2)3/h5-6,9-10,14,16H,4,7-8,11-13,18H2,1-3H3.
What are the key properties of 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(2-ethoxyphenyl)ethanamine?
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(2-ethoxyphenyl)ethanamine has a molecular weight of 291.44 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(2-ethoxyphenyl)ethanamine is sourced from PubChem (CID 62884895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).