N-[(2,4-dimethylphenyl)methyl]-2-methylpropan-2-amine

C13H21N — CID 16774947

IUPACN-[(2,4-dimethylphenyl)methyl]-2-methylpropan-2-amine
SMILESCc1ccc(CNC(C)(C)C)c(C)c1
InChIInChI=1S/C13H21N/c1-10-6-7-12(11(2)8-10)9-14-13(3,4)5/h6-8,14H,9H2,1-5H3
InChIKeyOTFHIZALQHNZCG-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.19
Rot. Bonds2

About N-[(2,4-dimethylphenyl)methyl]-2-methylpropan-2-amine

N-[(2,4-dimethylphenyl)methyl]-2-methylpropan-2-amine (PubChem CID 16774947) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-2-methylpropan-2-amine
PubChem CID16774947
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-2-methylpropan-2-amine
SMILESCc1ccc(CNC(C)(C)C)c(C)c1
InChIInChI=1S/C13H21N/c1-10-6-7-12(11(2)8-10)9-14-13(3,4)5/h6-8,14H,9H2,1-5H3
InChIKeyOTFHIZALQHNZCG-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

3-[(2,4-dimethylphenyl)methylamino]-3-methylbutanamide
CID 106095989
N-tert-butyl-6-(2,4-dimethylphenyl)hexan-1-amine
CID 65308446
3-[(2,4-dimethylphenyl)methylamino]-4-methoxy-3-methylbutan-1-ol
CID 111824927
4-[(tert-butylamino)methyl]-N,3-dimethyl-N-(2-methylbutan-2-yl)aniline
CID 63965092
4-[(tert-butylamino)methyl]-N-ethyl-3-methyl-N-propylaniline
CID 62135693
4-[(tert-butylamino)methyl]-N,3-dimethyl-N-(3-methylbutan-2-yl)aniline
CID 63551530
N-[(5-tert-butyl-2-methylphenyl)methyl]-2-methylpropan-2-amine
CID 82129150
1-[(2,4-dimethylphenyl)methylamino]propan-2-one
CID 115234682
2-bromo-N-[(2,4-dimethylphenyl)methyl]-5-methylaniline
CID 82761087
N-[(2,4-dimethylphenyl)methyl]-2-methylpyridin-3-amine
CID 79041859
3-bromo-N-[(2,4-dimethylphenyl)methyl]-5-methylaniline
CID 107582067
2-[4-[(tert-butylamino)methyl]-3-methylphenyl]sulfanylacetamide
CID 114231407

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-2-methylpropan-2-amine (CID 16774947) is N-[(2,4-dimethylphenyl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-2-methylpropan-2-amine is Cc1ccc(CNC(C)(C)C)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-2-methylpropan-2-amine?
The InChIKey is OTFHIZALQHNZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-10-6-7-12(11(2)8-10)9-14-13(3,4)5/h6-8,14H,9H2,1-5H3.
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-2-methylpropan-2-amine?
N-[(2,4-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-[(2,4-dimethylphenyl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 16774947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).