3-(2,4-dimethylphenyl)-N-methylhexan-1-amine

C15H25N — CID 112507893

IUPAC3-(2,4-dimethylphenyl)-N-methylhexan-1-amine
SMILESCCCC(CCNC)c1ccc(C)cc1C
InChIInChI=1S/C15H25N/c1-5-6-14(9-10-16-4)15-8-7-12(2)11-13(15)3/h7-8,11,14,16H,5-6,9-10H2,1-4H3
InChIKeyIHZVXMICQDSBBG-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.80
Rot. Bonds6

About 3-(2,4-dimethylphenyl)-N-methylhexan-1-amine

3-(2,4-dimethylphenyl)-N-methylhexan-1-amine (PubChem CID 112507893) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-N-methylhexan-1-amine.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-N-methylhexan-1-amine
PubChem CID112507893
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name3-(2,4-dimethylphenyl)-N-methylhexan-1-amine
SMILESCCCC(CCNC)c1ccc(C)cc1C
InChIInChI=1S/C15H25N/c1-5-6-14(9-10-16-4)15-8-7-12(2)11-13(15)3/h7-8,11,14,16H,5-6,9-10H2,1-4H3
InChIKeyIHZVXMICQDSBBG-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-heptan-4-yl-2,4-dimethylbenzene
CID 142336118
2,4-dimethyl-1-undecan-5-ylbenzene
CID 123380808
1-chloro-2-heptan-4-yl-4-methylbenzene
CID 134594279
1-(2,4-dimethylphenyl)pentane-1,2-diol
CID 103454853
N-[1-(2,4-dimethylphenyl)ethyl]octan-4-amine
CID 106023750
1-(2,4-dimethylphenyl)-3-methyl-N-propylhexan-1-amine
CID 115845635
1-(2,4-dimethylphenyl)-5-methyl-N-propylhexan-1-amine
CID 105028958
N-[1-(2,4-dimethylphenyl)ethyl]-2-methylpentan-1-amine
CID 63448800
1-(2,4-dimethylphenyl)-N-methylundecan-1-amine
CID 115845807
1-(2,4-dimethylphenyl)-2-ethoxypentan-1-amine
CID 116717431
1-(2,4-dimethylphenyl)-3-methylhexan-1-amine
CID 115845282
1-(1-chloropentyl)-2,4-dimethylbenzene
CID 63430265

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-N-methylhexan-1-amine?
The IUPAC name of 3-(2,4-dimethylphenyl)-N-methylhexan-1-amine (CID 112507893) is 3-(2,4-dimethylphenyl)-N-methylhexan-1-amine.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-N-methylhexan-1-amine?
The canonical SMILES for 3-(2,4-dimethylphenyl)-N-methylhexan-1-amine is CCCC(CCNC)c1ccc(C)cc1C.
What is the InChIKey of 3-(2,4-dimethylphenyl)-N-methylhexan-1-amine?
The InChIKey is IHZVXMICQDSBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-5-6-14(9-10-16-4)15-8-7-12(2)11-13(15)3/h7-8,11,14,16H,5-6,9-10H2,1-4H3.
What are the key properties of 3-(2,4-dimethylphenyl)-N-methylhexan-1-amine?
3-(2,4-dimethylphenyl)-N-methylhexan-1-amine has a molecular weight of 219.37 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-N-methylhexan-1-amine is sourced from PubChem (CID 112507893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).