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

C15H25N — CID 83927991

IUPAC6-(2,4-dimethylphenyl)heptan-3-amine
SMILESCCC(N)CCC(C)c1ccc(C)cc1C
InChIInChI=1S/C15H25N/c1-5-14(16)8-7-12(3)15-9-6-11(2)10-13(15)4/h6,9-10,12,14H,5,7-8,16H2,1-4H3
InChIKeyUNDKTIHCGNVXSZ-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.92
Rot. Bonds5

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

6-(2,4-dimethylphenyl)heptan-3-amine (PubChem CID 83927991) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 6-(2,4-dimethylphenyl)heptan-3-amine.

Molecular Properties

Compound Name6-(2,4-dimethylphenyl)heptan-3-amine
PubChem CID83927991
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name6-(2,4-dimethylphenyl)heptan-3-amine
SMILESCCC(N)CCC(C)c1ccc(C)cc1C
InChIInChI=1S/C15H25N/c1-5-14(16)8-7-12(3)15-9-6-11(2)10-13(15)4/h6,9-10,12,14H,5,7-8,16H2,1-4H3
InChIKeyUNDKTIHCGNVXSZ-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2,4-dimethylphenyl)pentan-2-amine
CID 64721851
(1R)-1-(2,4-dimethylphenyl)propan-1-amine
CID 7176017
6-(2-bromo-4,5-dimethylphenyl)heptan-3-amine
CID 83921860
5-amino-2-(2,4-dimethylphenyl)octan-4-ol
CID 83928076
1-(2,5-dimethylphenyl)pentan-3-amine
CID 61481640
1-(2,4-dimethylphenyl)-3-methylhexan-1-amine
CID 115845282
1-heptan-4-yl-2,4-dimethylbenzene
CID 142336118
(1R)-3-amino-1-(2,4-dimethylphenyl)propan-1-ol
CID 93182212
6-(2,5-diethoxyphenyl)heptan-3-amine
CID 83942784
(1S)-1-(2,4-dimethylphenyl)-2-fluoroethanamine;hydrochloride
CID 171213137
(1R,2R)-1-amino-1-(2,4-dimethylphenyl)propan-2-ol
CID 131023872
(2S)-2-amino-2-(2,4-dimethylphenyl)ethanol
CID 42579716

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethylphenyl)heptan-3-amine?
The IUPAC name of 6-(2,4-dimethylphenyl)heptan-3-amine (CID 83927991) is 6-(2,4-dimethylphenyl)heptan-3-amine.
What is the SMILES notation for 6-(2,4-dimethylphenyl)heptan-3-amine?
The canonical SMILES for 6-(2,4-dimethylphenyl)heptan-3-amine is CCC(N)CCC(C)c1ccc(C)cc1C.
What is the InChIKey of 6-(2,4-dimethylphenyl)heptan-3-amine?
The InChIKey is UNDKTIHCGNVXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-5-14(16)8-7-12(3)15-9-6-11(2)10-13(15)4/h6,9-10,12,14H,5,7-8,16H2,1-4H3.
What are the key properties of 6-(2,4-dimethylphenyl)heptan-3-amine?
6-(2,4-dimethylphenyl)heptan-3-amine has a molecular weight of 219.37 g/mol, XLogP of 3.92, 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)heptan-3-amine is sourced from PubChem (CID 83927991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).