2-(aminomethyl)-N,4-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline

C15H25N3 — CID 107926216

IUPAC2-(aminomethyl)-N,4-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
SMILESCc1ccc(N(C)CC2CCN(C)C2)c(CN)c1
InChIInChI=1S/C15H25N3/c1-12-4-5-15(14(8-12)9-16)18(3)11-13-6-7-17(2)10-13/h4-5,8,13H,6-7,9-11,16H2,1-3H3
InChIKeyCXFGNTZJPPVKKS-UHFFFAOYSA-N
MW247.39 g/mol
LogP1.84
Rot. Bonds4

About 2-(aminomethyl)-N,4-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline

2-(aminomethyl)-N,4-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline (PubChem CID 107926216) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-(aminomethyl)-N,4-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline.

Molecular Properties

Compound Name2-(aminomethyl)-N,4-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
PubChem CID107926216
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2-(aminomethyl)-N,4-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
SMILESCc1ccc(N(C)CC2CCN(C)C2)c(CN)c1
InChIInChI=1S/C15H25N3/c1-12-4-5-15(14(8-12)9-16)18(3)11-13-6-7-17(2)10-13/h4-5,8,13H,6-7,9-11,16H2,1-3H3
InChIKeyCXFGNTZJPPVKKS-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)aniline
CID 63272603
2-(aminomethyl)-N,4-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 107926272
2-(2-aminoethyl)-4-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 63783264
2-(2-aminopropyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 63793436
2-(2-aminobutyl)-4-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 114860842
2-(aminomethyl)-N-(cyclohexylmethyl)-N,5-dimethylaniline
CID 62307441
4-(aminomethyl)-N,1,3-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazol-5-amine
CID 63274020
3-N,5-dimethyl-3-N-[(1-methylpyrrolidin-3-yl)methyl]benzene-1,3-diamine
CID 112647771
5-chloro-2-(chloromethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 114846672
4-(aminomethyl)-N,6-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-2-amine
CID 107542009
5-N,3-dimethyl-5-N-[(1-methylpyrrolidin-3-yl)methyl]isoquinoline-5,8-diamine
CID 102713371
4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 78936852

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N,4-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline?
The IUPAC name of 2-(aminomethyl)-N,4-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline (CID 107926216) is 2-(aminomethyl)-N,4-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline.
What is the SMILES notation for 2-(aminomethyl)-N,4-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline?
The canonical SMILES for 2-(aminomethyl)-N,4-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline is Cc1ccc(N(C)CC2CCN(C)C2)c(CN)c1.
What is the InChIKey of 2-(aminomethyl)-N,4-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline?
The InChIKey is CXFGNTZJPPVKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-12-4-5-15(14(8-12)9-16)18(3)11-13-6-7-17(2)10-13/h4-5,8,13H,6-7,9-11,16H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N,4-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline?
2-(aminomethyl)-N,4-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline has a molecular weight of 247.39 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N,4-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline is sourced from PubChem (CID 107926216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).