1-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine

C15H22N4 — CID 43663267

IUPAC1-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine
SMILESCN(C)Cc1ccccc1CNCc1ccnn1C
InChIInChI=1S/C15H22N4/c1-18(2)12-14-7-5-4-6-13(14)10-16-11-15-8-9-17-19(15)3/h4-9,16H,10-12H2,1-3H3
InChIKeyWOKICHTUBKDGTO-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.77
Rot. Bonds6

About 1-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine

1-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine (PubChem CID 43663267) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine
PubChem CID43663267
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name1-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine
SMILESCN(C)Cc1ccccc1CNCc1ccnn1C
InChIInChI=1S/C15H22N4/c1-18(2)12-14-7-5-4-6-13(14)10-16-11-15-8-9-17-19(15)3/h4-9,16H,10-12H2,1-3H3
InChIKeyWOKICHTUBKDGTO-UHFFFAOYSA-N
XLogP1.77
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine?
The IUPAC name of 1-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine (CID 43663267) is 1-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine is CN(C)Cc1ccccc1CNCc1ccnn1C.
What is the InChIKey of 1-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine?
The InChIKey is WOKICHTUBKDGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-18(2)12-14-7-5-4-6-13(14)10-16-11-15-8-9-17-19(15)3/h4-9,16H,10-12H2,1-3H3.
What are the key properties of 1-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine?
1-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine has a molecular weight of 258.37 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine is sourced from PubChem (CID 43663267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).