N-[(2,5-dimethylphenyl)methyl]-N-methylpropan-2-amine

C13H21N — CID 117043979

IUPACN-[(2,5-dimethylphenyl)methyl]-N-methylpropan-2-amine
SMILESCc1ccc(C)c(CN(C)C(C)C)c1
InChIInChI=1S/C13H21N/c1-10(2)14(5)9-13-8-11(3)6-7-12(13)4/h6-8,10H,9H2,1-5H3
InChIKeyKIKQRZXKZBTTSS-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.14
Rot. Bonds3

About N-[(2,5-dimethylphenyl)methyl]-N-methylpropan-2-amine

N-[(2,5-dimethylphenyl)methyl]-N-methylpropan-2-amine (PubChem CID 117043979) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)methyl]-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(2,5-dimethylphenyl)methyl]-N-methylpropan-2-amine
PubChem CID117043979
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC NameN-[(2,5-dimethylphenyl)methyl]-N-methylpropan-2-amine
SMILESCc1ccc(C)c(CN(C)C(C)C)c1
InChIInChI=1S/C13H21N/c1-10(2)14(5)9-13-8-11(3)6-7-12(13)4/h6-8,10H,9H2,1-5H3
InChIKeyKIKQRZXKZBTTSS-UHFFFAOYSA-N
XLogP3.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propan-2-amine
CID 117044047
1-[(2,5-dimethylphenyl)methyl-methylamino]propan-2-ol
CID 62333578
[(2,5-dimethylphenyl)methyl-methylamino]methanol
CID 115229092
[(2,5-dimethylphenyl)methyl-methylamino]methanethiol
CID 115228030
2-(bromomethyl)-1,4-dimethylbenzene;methane
CID 178158630
2-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]-3-methylbutan-1-ol
CID 115252120
N-[(2,5-dimethylphenyl)methyl]-N,2-dimethylbutane-1,4-diamine
CID 115202638
2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-methylphenol
CID 82981814
4-methyl-2-[[methyl(pentan-3-yl)amino]methyl]phenol
CID 82976772
4-methyl-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]phenol
CID 63325666
3-methyl-4-[[methyl(propan-2-yl)amino]methyl]benzonitrile
CID 114480950
N-[(2,5-dimethylphenyl)methyl]-N-methyl-1-phenylmethanamine
CID 10610052

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylphenyl)methyl]-N-methylpropan-2-amine?
The IUPAC name of N-[(2,5-dimethylphenyl)methyl]-N-methylpropan-2-amine (CID 117043979) is N-[(2,5-dimethylphenyl)methyl]-N-methylpropan-2-amine.
What is the SMILES notation for N-[(2,5-dimethylphenyl)methyl]-N-methylpropan-2-amine?
The canonical SMILES for N-[(2,5-dimethylphenyl)methyl]-N-methylpropan-2-amine is Cc1ccc(C)c(CN(C)C(C)C)c1.
What is the InChIKey of N-[(2,5-dimethylphenyl)methyl]-N-methylpropan-2-amine?
The InChIKey is KIKQRZXKZBTTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-10(2)14(5)9-13-8-11(3)6-7-12(13)4/h6-8,10H,9H2,1-5H3.
What are the key properties of N-[(2,5-dimethylphenyl)methyl]-N-methylpropan-2-amine?
N-[(2,5-dimethylphenyl)methyl]-N-methylpropan-2-amine has a molecular weight of 191.32 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylphenyl)methyl]-N-methylpropan-2-amine is sourced from PubChem (CID 117043979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).