4-methyl-1-(2-methylphenyl)pentan-3-amine

C13H21N — CID 43175902

IUPAC4-methyl-1-(2-methylphenyl)pentan-3-amine
SMILESCc1ccccc1CCC(N)C(C)C
InChIInChI=1S/C13H21N/c1-10(2)13(14)9-8-12-7-5-4-6-11(12)3/h4-7,10,13H,8-9,14H2,1-3H3
InChIKeyFTCCKRTVDNLZEL-UHFFFAOYSA-N
MW191.32 g/mol
LogP2.91
Rot. Bonds4

About 4-methyl-1-(2-methylphenyl)pentan-3-amine

4-methyl-1-(2-methylphenyl)pentan-3-amine (PubChem CID 43175902) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 4-methyl-1-(2-methylphenyl)pentan-3-amine.

Molecular Properties

Compound Name4-methyl-1-(2-methylphenyl)pentan-3-amine
PubChem CID43175902
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name4-methyl-1-(2-methylphenyl)pentan-3-amine
SMILESCc1ccccc1CCC(N)C(C)C
InChIInChI=1S/C13H21N/c1-10(2)13(14)9-8-12-7-5-4-6-11(12)3/h4-7,10,13H,8-9,14H2,1-3H3
InChIKeyFTCCKRTVDNLZEL-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-6-(2-methylphenyl)hexan-3-amine
CID 64505350
4,4-dimethyl-1-(2-methylphenyl)pentan-3-amine
CID 43175879
4-methyl-1-naphthalen-1-ylpentan-3-amine
CID 43370560
1-(2-methylphenyl)-4-pyridin-4-ylpentan-3-amine
CID 66447930
4-(2-methylphenyl)butan-2-ylhydrazine
CID 105282545
1-(2-methylphenyl)heptan-3-amine
CID 105125604
1-(2,3-difluorophenyl)-4-methylpentan-3-amine
CID 43659052
1-(3,3-dimethoxypropyl)-2-methylbenzene
CID 102208154
1-(2-chlorophenyl)-4-(2-methylphenyl)butan-2-amine
CID 62367436
1-cyclobutyl-3-(2-methylphenyl)propan-1-amine
CID 105187525
1-(4-bromo-5-methylhexyl)-2-methylbenzene
CID 64508318
1-[2-bromo-4-(2-methylphenyl)butyl]-2-methylbenzene
CID 55222765

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methylphenyl)pentan-3-amine?
The IUPAC name of 4-methyl-1-(2-methylphenyl)pentan-3-amine (CID 43175902) is 4-methyl-1-(2-methylphenyl)pentan-3-amine.
What is the SMILES notation for 4-methyl-1-(2-methylphenyl)pentan-3-amine?
The canonical SMILES for 4-methyl-1-(2-methylphenyl)pentan-3-amine is Cc1ccccc1CCC(N)C(C)C.
What is the InChIKey of 4-methyl-1-(2-methylphenyl)pentan-3-amine?
The InChIKey is FTCCKRTVDNLZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-10(2)13(14)9-8-12-7-5-4-6-11(12)3/h4-7,10,13H,8-9,14H2,1-3H3.
What are the key properties of 4-methyl-1-(2-methylphenyl)pentan-3-amine?
4-methyl-1-(2-methylphenyl)pentan-3-amine has a molecular weight of 191.32 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methylphenyl)pentan-3-amine is sourced from PubChem (CID 43175902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).