N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-methylpyrrolidin-3-amine

C15H25N3 — CID 62975581

IUPACN-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-methylpyrrolidin-3-amine
SMILESCN(C)Cc1ccccc1CNC1CCN(C)C1
InChIInChI=1S/C15H25N3/c1-17(2)11-14-7-5-4-6-13(14)10-16-15-8-9-18(3)12-15/h4-7,15-16H,8-12H2,1-3H3
InChIKeyBHUPYGALHXLYEW-UHFFFAOYSA-N
MW247.39 g/mol
LogP1.54
Rot. Bonds5

About N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-methylpyrrolidin-3-amine

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-methylpyrrolidin-3-amine (PubChem CID 62975581) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-methylpyrrolidin-3-amine
PubChem CID62975581
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-methylpyrrolidin-3-amine
SMILESCN(C)Cc1ccccc1CNC1CCN(C)C1
InChIInChI=1S/C15H25N3/c1-17(2)11-14-7-5-4-6-13(14)10-16-15-8-9-18(3)12-15/h4-7,15-16H,8-12H2,1-3H3
InChIKeyBHUPYGALHXLYEW-UHFFFAOYSA-N
XLogP1.54
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]pyrrolidin-3-amine
CID 113222195
N-[[2-[(cyclopropylamino)methyl]phenyl]methyl]-N,1-dimethylpiperidin-3-amine
CID 62545615
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43131729
N-[(2,3-dichlorophenyl)methyl]-1-methylpyrrolidin-3-amine
CID 61462296
2-chloro-6-[[(1-methylpyrrolidin-3-yl)amino]methyl]phenol
CID 112554706
N-[(2-chloro-3-fluorophenyl)methyl]-1-methylpyrrolidin-3-amine
CID 112651913
N-[(4-methoxynaphthalen-1-yl)methyl]-1-methylpyrrolidin-3-amine
CID 78943425
N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 63274761
N-[(2,3-difluorophenyl)methyl]-1-methylpiperidin-3-amine
CID 63667562
N-[2-[(dimethylamino)methyl]phenyl]-1-methylazepan-4-amine
CID 65070089
N-[[2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenyl]methyl]propan-2-amine
CID 63274805
N-[[2-[[cyclobutylmethyl(methyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62856940

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-methylpyrrolidin-3-amine?
The IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-methylpyrrolidin-3-amine (CID 62975581) is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-methylpyrrolidin-3-amine?
The canonical SMILES for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-methylpyrrolidin-3-amine is CN(C)Cc1ccccc1CNC1CCN(C)C1.
What is the InChIKey of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-methylpyrrolidin-3-amine?
The InChIKey is BHUPYGALHXLYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-17(2)11-14-7-5-4-6-13(14)10-16-15-8-9-18(3)12-15/h4-7,15-16H,8-12H2,1-3H3.
What are the key properties of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-methylpyrrolidin-3-amine?
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-methylpyrrolidin-3-amine has a molecular weight of 247.39 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 62975581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).