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

C15H25N3 — CID 63275703

IUPAC2-(1-aminoethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
SMILESCC(N)c1ccccc1N(C)CC1CCN(C)C1
InChIInChI=1S/C15H25N3/c1-12(16)14-6-4-5-7-15(14)18(3)11-13-8-9-17(2)10-13/h4-7,12-13H,8-11,16H2,1-3H3
InChIKeyRNUOOHWTLHCFFD-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.09
Rot. Bonds4

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

2-(1-aminoethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline (PubChem CID 63275703) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-(1-aminoethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline.

Molecular Properties

Compound Name2-(1-aminoethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
PubChem CID63275703
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2-(1-aminoethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
SMILESCC(N)c1ccccc1N(C)CC1CCN(C)C1
InChIInChI=1S/C15H25N3/c1-12(16)14-6-4-5-7-15(14)18(3)11-13-8-9-17(2)10-13/h4-7,12-13H,8-11,16H2,1-3H3
InChIKeyRNUOOHWTLHCFFD-UHFFFAOYSA-N
XLogP2.09
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminopropyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 63793436
2-[1-(ethylamino)ethyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 63275924
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzonitrile
CID 63274069
4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 78936852
1-[5-fluoro-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]ethanol
CID 55172587
2-[(1S)-1-aminopropyl]-N-(cyclohexylmethyl)-N-methylaniline
CID 103958669
(1S)-1-[2-[cyclohexylmethyl(methyl)amino]phenyl]ethanol
CID 78940236
4-(1-aminoethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 63236717
2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzonitrile
CID 63234456
4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3,4-diamine
CID 63275542
(1S)-1-[2-[cyclopentylmethyl(methyl)amino]phenyl]ethanol
CID 55247704
2-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzenecarboximidamide
CID 63276142

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline?
The IUPAC name of 2-(1-aminoethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline (CID 63275703) is 2-(1-aminoethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline.
What is the SMILES notation for 2-(1-aminoethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline?
The canonical SMILES for 2-(1-aminoethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline is CC(N)c1ccccc1N(C)CC1CCN(C)C1.
What is the InChIKey of 2-(1-aminoethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline?
The InChIKey is RNUOOHWTLHCFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-12(16)14-6-4-5-7-15(14)18(3)11-13-8-9-17(2)10-13/h4-7,12-13H,8-11,16H2,1-3H3.
What are the key properties of 2-(1-aminoethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline?
2-(1-aminoethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline has a molecular weight of 247.39 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline is sourced from PubChem (CID 63275703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).