2-methyl-1-(2-methylphenyl)pentan-1-amine

C13H21N — CID 115794811

IUPAC2-methyl-1-(2-methylphenyl)pentan-1-amine
SMILESCCCC(C)C(N)c1ccccc1C
InChIInChI=1S/C13H21N/c1-4-7-11(3)13(14)12-9-6-5-8-10(12)2/h5-6,8-9,11,13H,4,7,14H2,1-3H3
InChIKeyWYXGIZFMKSRCAO-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.43
Rot. Bonds4

About 2-methyl-1-(2-methylphenyl)pentan-1-amine

2-methyl-1-(2-methylphenyl)pentan-1-amine (PubChem CID 115794811) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 2-methyl-1-(2-methylphenyl)pentan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(2-methylphenyl)pentan-1-amine
PubChem CID115794811
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name2-methyl-1-(2-methylphenyl)pentan-1-amine
SMILESCCCC(C)C(N)c1ccccc1C
InChIInChI=1S/C13H21N/c1-4-7-11(3)13(14)12-9-6-5-8-10(12)2/h5-6,8-9,11,13H,4,7,14H2,1-3H3
InChIKeyWYXGIZFMKSRCAO-UHFFFAOYSA-N
XLogP3.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-1-(2-methylsulfanylphenyl)pentan-1-amine
CID 107893622
3-methyl-2-(2-methylphenyl)hexan-1-amine
CID 107886318
1-(2-ethoxyphenyl)-2-methylpentan-1-amine
CID 115853638
1-methyl-10-pentan-2-ylcyclodeca-1,3,5,7,9-pentaene
CID 123216377
1-(4-methoxy-2-methylphenyl)-2-methylpentan-1-amine
CID 43210161
3-methyl-2-(2-methylphenyl)hexanoic acid
CID 56997006
1-[2-(2-methoxyethoxy)phenyl]-2-methylpentan-1-amine
CID 105035286
1-methyl-2-(7-methylnonan-4-yl)benzene
CID 143620943
1-N-methyl-1-(2-methylphenyl)-1-N-pentan-2-ylpropane-1,2-diamine
CID 55018279
(1R,2S)-1-amino-1-(2-methylphenyl)propan-2-ol;hydrochloride
CID 171160087
2-[(1S)-1-aminobutyl]-6-methylaniline
CID 131064823
(1R)-1-(2,3-dimethylphenyl)-2-methylbutan-1-amine
CID 130806142

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylphenyl)pentan-1-amine?
The IUPAC name of 2-methyl-1-(2-methylphenyl)pentan-1-amine (CID 115794811) is 2-methyl-1-(2-methylphenyl)pentan-1-amine.
What is the SMILES notation for 2-methyl-1-(2-methylphenyl)pentan-1-amine?
The canonical SMILES for 2-methyl-1-(2-methylphenyl)pentan-1-amine is CCCC(C)C(N)c1ccccc1C.
What is the InChIKey of 2-methyl-1-(2-methylphenyl)pentan-1-amine?
The InChIKey is WYXGIZFMKSRCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-4-7-11(3)13(14)12-9-6-5-8-10(12)2/h5-6,8-9,11,13H,4,7,14H2,1-3H3.
What are the key properties of 2-methyl-1-(2-methylphenyl)pentan-1-amine?
2-methyl-1-(2-methylphenyl)pentan-1-amine has a molecular weight of 191.32 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylphenyl)pentan-1-amine is sourced from PubChem (CID 115794811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).