2-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-N-propan-2-ylpropan-1-amine

C16H28N2 — CID 55072302

IUPAC2-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-N-propan-2-ylpropan-1-amine
SMILESCNCc1ccccc1CN(CC(C)C)C(C)C
InChIInChI=1S/C16H28N2/c1-13(2)11-18(14(3)4)12-16-9-7-6-8-15(16)10-17-5/h6-9,13-14,17H,10-12H2,1-5H3
InChIKeyLQIOGKXTILEWIG-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.27
Rot. Bonds7

About 2-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-N-propan-2-ylpropan-1-amine

2-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-N-propan-2-ylpropan-1-amine (PubChem CID 55072302) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 2-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-N-propan-2-ylpropan-1-amine
PubChem CID55072302
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name2-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-N-propan-2-ylpropan-1-amine
SMILESCNCc1ccccc1CN(CC(C)C)C(C)C
InChIInChI=1S/C16H28N2/c1-13(2)11-18(14(3)4)12-16-9-7-6-8-15(16)10-17-5/h6-9,13-14,17H,10-12H2,1-5H3
InChIKeyLQIOGKXTILEWIG-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 102770674
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2-methyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]-N-propan-2-ylpropan-1-amine
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1-[2-[[(2-bromophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine
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N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]pentan-3-amine
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N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-2-propan-2-yloxyethanamine
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CID 115462976
1-(2-fluorophenyl)-N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]ethanamine
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-N-propan-2-ylpropan-1-amine (CID 55072302) is 2-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-N-propan-2-ylpropan-1-amine is CNCc1ccccc1CN(CC(C)C)C(C)C.
What is the InChIKey of 2-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-N-propan-2-ylpropan-1-amine?
The InChIKey is LQIOGKXTILEWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-13(2)11-18(14(3)4)12-16-9-7-6-8-15(16)10-17-5/h6-9,13-14,17H,10-12H2,1-5H3.
What are the key properties of 2-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-N-propan-2-ylpropan-1-amine?
2-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-N-propan-2-ylpropan-1-amine has a molecular weight of 248.41 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 55072302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).