2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]aniline

C14H23N3 — CID 62885023

IUPAC2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]aniline
SMILESCN(C)CC1CCCN1Cc1ccccc1N
InChIInChI=1S/C14H23N3/c1-16(2)11-13-7-5-9-17(13)10-12-6-3-4-8-14(12)15/h3-4,6,8,13H,5,7,9-11,15H2,1-2H3
InChIKeySSZUIOJAIHHQFP-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.79
Rot. Bonds4

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

2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]aniline (PubChem CID 62885023) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]aniline.

Molecular Properties

Compound Name2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]aniline
PubChem CID62885023
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]aniline
SMILESCN(C)CC1CCCN1Cc1ccccc1N
InChIInChI=1S/C14H23N3/c1-16(2)11-13-7-5-9-17(13)10-12-6-3-4-8-14(12)15/h3-4,6,8,13H,5,7,9-11,15H2,1-2H3
InChIKeySSZUIOJAIHHQFP-UHFFFAOYSA-N
XLogP1.79
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propyl]aniline
CID 107274456
2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide
CID 76975855
2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-5-methoxyaniline
CID 115414082
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]aniline
CID 79303405
2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-3-fluoroaniline
CID 63330937
2-bromo-6-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]phenol
CID 82979557
2-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethyl]aniline
CID 79303181
4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-3-methoxyaniline
CID 107208396
3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]pyridine-2-carbonitrile
CID 62920268
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-phenylpropan-2-amine
CID 62889171
3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]phenol
CID 82979279
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-methylaniline
CID 115550464

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]aniline?
The IUPAC name of 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]aniline (CID 62885023) is 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]aniline.
What is the SMILES notation for 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]aniline?
The canonical SMILES for 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]aniline is CN(C)CC1CCCN1Cc1ccccc1N.
What is the InChIKey of 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]aniline?
The InChIKey is SSZUIOJAIHHQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-16(2)11-13-7-5-9-17(13)10-12-6-3-4-8-14(12)15/h3-4,6,8,13H,5,7,9-11,15H2,1-2H3.
What are the key properties of 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]aniline?
2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]aniline has a molecular weight of 233.36 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]aniline is sourced from PubChem (CID 62885023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).