N-[(2,3-dimethylphenyl)methyl]-2-methylpropan-2-amine

C13H21N — CID 60760457

IUPACN-[(2,3-dimethylphenyl)methyl]-2-methylpropan-2-amine
SMILESCc1cccc(CNC(C)(C)C)c1C
InChIInChI=1S/C13H21N/c1-10-7-6-8-12(11(10)2)9-14-13(3,4)5/h6-8,14H,9H2,1-5H3
InChIKeyXCIYSHOMRCZKJQ-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.19
Rot. Bonds2

About N-[(2,3-dimethylphenyl)methyl]-2-methylpropan-2-amine

N-[(2,3-dimethylphenyl)methyl]-2-methylpropan-2-amine (PubChem CID 60760457) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is N-[(2,3-dimethylphenyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(2,3-dimethylphenyl)methyl]-2-methylpropan-2-amine
PubChem CID60760457
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC NameN-[(2,3-dimethylphenyl)methyl]-2-methylpropan-2-amine
SMILESCc1cccc(CNC(C)(C)C)c1C
InChIInChI=1S/C13H21N/c1-10-7-6-8-12(11(10)2)9-14-13(3,4)5/h6-8,14H,9H2,1-5H3
InChIKeyXCIYSHOMRCZKJQ-UHFFFAOYSA-N
XLogP3.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,3-dimethylphenyl)methyl]-2-methylaniline
CID 54944772
2-cyclopropyl-2-[(2,3-dimethylphenyl)methylamino]propan-1-ol
CID 111977080
N-[[2-(difluoromethoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine
CID 112610199
2-methyl-N-[[2-(2-methylphenoxy)phenyl]methyl]propan-2-amine
CID 63550509
N-[(2-heptoxy-3-methylphenyl)methyl]-2-methylpropan-2-amine
CID 115954178
N-[(2,3-dimethylphenyl)methyl]-2,4,6-trimethylaniline
CID 55191577
N-[(2,3-dimethylphenyl)methyl]-2-fluoro-3-methylaniline
CID 114254476
N-[(2-butan-2-yloxy-3-methylphenyl)methyl]-2-methylpropan-2-amine
CID 112610168
2-methyl-N-[[3-methyl-2-(3-methylbut-3-enoxy)phenyl]methyl]propan-2-amine
CID 114471737
2-methyl-N-[[3-methyl-2-(2-methylbutoxy)phenyl]methyl]propan-2-amine
CID 112610190
methyl 2-[2-[(tert-butylamino)methyl]-6-methylphenoxy]acetate
CID 112610174
3-[(2,3-dimethylphenyl)methylamino]-2,2-dimethylpropanenitrile
CID 104587379

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethylphenyl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(2,3-dimethylphenyl)methyl]-2-methylpropan-2-amine (CID 60760457) is N-[(2,3-dimethylphenyl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(2,3-dimethylphenyl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(2,3-dimethylphenyl)methyl]-2-methylpropan-2-amine is Cc1cccc(CNC(C)(C)C)c1C.
What is the InChIKey of N-[(2,3-dimethylphenyl)methyl]-2-methylpropan-2-amine?
The InChIKey is XCIYSHOMRCZKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-10-7-6-8-12(11(10)2)9-14-13(3,4)5/h6-8,14H,9H2,1-5H3.
What are the key properties of N-[(2,3-dimethylphenyl)methyl]-2-methylpropan-2-amine?
N-[(2,3-dimethylphenyl)methyl]-2-methylpropan-2-amine has a molecular weight of 191.32 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethylphenyl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 60760457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).