6-(2,4-dimethylphenyl)-2-methylhexan-3-amine

C15H25N — CID 83927989

IUPAC6-(2,4-dimethylphenyl)-2-methylhexan-3-amine
SMILESCc1ccc(CCCC(N)C(C)C)c(C)c1
InChIInChI=1S/C15H25N/c1-11(2)15(16)7-5-6-14-9-8-12(3)10-13(14)4/h8-11,15H,5-7,16H2,1-4H3
InChIKeyQZMBUFRFPDERHO-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.61
Rot. Bonds5

About 6-(2,4-dimethylphenyl)-2-methylhexan-3-amine

6-(2,4-dimethylphenyl)-2-methylhexan-3-amine (PubChem CID 83927989) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 6-(2,4-dimethylphenyl)-2-methylhexan-3-amine.

Molecular Properties

Compound Name6-(2,4-dimethylphenyl)-2-methylhexan-3-amine
PubChem CID83927989
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name6-(2,4-dimethylphenyl)-2-methylhexan-3-amine
SMILESCc1ccc(CCCC(N)C(C)C)c(C)c1
InChIInChI=1S/C15H25N/c1-11(2)15(16)7-5-6-14-9-8-12(3)10-13(14)4/h8-11,15H,5-7,16H2,1-4H3
InChIKeyQZMBUFRFPDERHO-UHFFFAOYSA-N
XLogP3.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-(4-methoxy-2-methylphenyl)-2-methylhexan-3-amine
CID 83936392
2-(4-amino-5-methylhexyl)-4-methylphenol
CID 83922823
2-methyl-6-(2-methylphenyl)hexan-3-amine
CID 64505350
(2R)-4-(2,4-dimethylphenyl)butan-2-amine
CID 95375920
1-N-[(2,4-dimethylphenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine
CID 115317239
6-(2,5-diethylphenyl)-2-methylhexan-3-amine
CID 83920903
1-(2-chloro-4-methylphenyl)-4-methylpentan-3-amine
CID 106864879
1-(3-chloro-4-methylpentyl)-2,4-dimethylbenzene
CID 64509110
12-(2,4-dimethylphenyl)dodecan-1-amine
CID 70565754
6-(2,4-dimethylphenyl)-2-methylhexan-3-one
CID 83928031
1-(2,4-dimethylphenyl)propan-2-amine
CID 541870
1-N-[2-(2,4-dimethylphenyl)ethyl]-1-N-methylpropane-1,2-diamine
CID 115196905

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethylphenyl)-2-methylhexan-3-amine?
The IUPAC name of 6-(2,4-dimethylphenyl)-2-methylhexan-3-amine (CID 83927989) is 6-(2,4-dimethylphenyl)-2-methylhexan-3-amine.
What is the SMILES notation for 6-(2,4-dimethylphenyl)-2-methylhexan-3-amine?
The canonical SMILES for 6-(2,4-dimethylphenyl)-2-methylhexan-3-amine is Cc1ccc(CCCC(N)C(C)C)c(C)c1.
What is the InChIKey of 6-(2,4-dimethylphenyl)-2-methylhexan-3-amine?
The InChIKey is QZMBUFRFPDERHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-11(2)15(16)7-5-6-14-9-8-12(3)10-13(14)4/h8-11,15H,5-7,16H2,1-4H3.
What are the key properties of 6-(2,4-dimethylphenyl)-2-methylhexan-3-amine?
6-(2,4-dimethylphenyl)-2-methylhexan-3-amine has a molecular weight of 219.37 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethylphenyl)-2-methylhexan-3-amine is sourced from PubChem (CID 83927989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).