2-[1-(ethylamino)ethyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline

C17H29N3 — CID 63275924

IUPAC2-[1-(ethylamino)ethyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
SMILESCCNC(C)c1ccccc1N(C)CC1CCN(C)C1
InChIInChI=1S/C17H29N3/c1-5-18-14(2)16-8-6-7-9-17(16)20(4)13-15-10-11-19(3)12-15/h6-9,14-15,18H,5,10-13H2,1-4H3
InChIKeyDNRPYKLSNDRGQH-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.74
Rot. Bonds6

About 2-[1-(ethylamino)ethyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline

2-[1-(ethylamino)ethyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline (PubChem CID 63275924) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-[1-(ethylamino)ethyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline.

Molecular Properties

Compound Name2-[1-(ethylamino)ethyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
PubChem CID63275924
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name2-[1-(ethylamino)ethyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
SMILESCCNC(C)c1ccccc1N(C)CC1CCN(C)C1
InChIInChI=1S/C17H29N3/c1-5-18-14(2)16-8-6-7-9-17(16)20(4)13-15-10-11-19(3)12-15/h6-9,14-15,18H,5,10-13H2,1-4H3
InChIKeyDNRPYKLSNDRGQH-UHFFFAOYSA-N
XLogP2.74
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminoethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 63275703
N-ethyl-2-[1-(ethylamino)ethyl]-N-methylaniline
CID 43284520
2-(2-aminopropyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 63793436
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzonitrile
CID 63274069
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-[1-(ethylamino)ethyl]-N-methylaniline
CID 105415203
4-[2-[1-(ethylamino)ethyl]-N-methylanilino]butan-2-ol
CID 113499650
N-(1-cyclopropylethyl)-2-[1-(ethylamino)ethyl]-N-methylaniline
CID 43569244
1-(2-methylphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
CID 54927501
1-[5-fluoro-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]ethanol
CID 55172587
N-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 63275836
(1R)-1-(2-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 81397127
2-[2-[1-(ethylamino)ethyl]-N-methylanilino]cyclohexan-1-ol
CID 102632638

Frequently Asked Questions

What is the IUPAC name of 2-[1-(ethylamino)ethyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline?
The IUPAC name of 2-[1-(ethylamino)ethyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline (CID 63275924) is 2-[1-(ethylamino)ethyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline.
What is the SMILES notation for 2-[1-(ethylamino)ethyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline?
The canonical SMILES for 2-[1-(ethylamino)ethyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline is CCNC(C)c1ccccc1N(C)CC1CCN(C)C1.
What is the InChIKey of 2-[1-(ethylamino)ethyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline?
The InChIKey is DNRPYKLSNDRGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-5-18-14(2)16-8-6-7-9-17(16)20(4)13-15-10-11-19(3)12-15/h6-9,14-15,18H,5,10-13H2,1-4H3.
What are the key properties of 2-[1-(ethylamino)ethyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline?
2-[1-(ethylamino)ethyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline has a molecular weight of 275.44 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(ethylamino)ethyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline is sourced from PubChem (CID 63275924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).