2-(3,4-dimethylphenyl)hexan-3-amine

C14H23N — CID 83047483

IUPAC2-(3,4-dimethylphenyl)hexan-3-amine
SMILESCCCC(N)C(C)c1ccc(C)c(C)c1
InChIInChI=1S/C14H23N/c1-5-6-14(15)12(4)13-8-7-10(2)11(3)9-13/h7-9,12,14H,5-6,15H2,1-4H3
InChIKeyKMBPEBVWANVZJE-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.53
Rot. Bonds4

About 2-(3,4-dimethylphenyl)hexan-3-amine

2-(3,4-dimethylphenyl)hexan-3-amine (PubChem CID 83047483) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)hexan-3-amine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)hexan-3-amine
PubChem CID83047483
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name2-(3,4-dimethylphenyl)hexan-3-amine
SMILESCCCC(N)C(C)c1ccc(C)c(C)c1
InChIInChI=1S/C14H23N/c1-5-6-14(15)12(4)13-8-7-10(2)11(3)9-13/h7-9,12,14H,5-6,15H2,1-4H3
InChIKeyKMBPEBVWANVZJE-UHFFFAOYSA-N
XLogP3.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-dimethyl-4-(3-methylpentan-2-yl)benzene
CID 54500357
(1R)-1-(3,4-dimethylphenyl)ethanamine
CID 7022091
(1R)-1-(3,4-dimethylphenyl)hexan-1-amine;hydrochloride
CID 171200481
2-(3,5-difluorophenyl)hexan-3-amine
CID 83048523
(1R)-1-(3,4-dimethylphenyl)-2-methylbutan-1-amine
CID 131078048
ethyl 2-(3,4-dimethylphenyl)pentanoate
CID 83043344
4-(3,4-dimethylphenyl)heptan-1-amine
CID 83927883
2-(3,4-dimethylphenyl)octane-4,5-diol
CID 83927974
2-(3,4-dimethylphenyl)-N-methylpentan-3-amine
CID 79307170
(4-butan-2-ylphenyl)-(3,4-dimethylphenyl)methanamine
CID 43108648
2-(3,4-dimethylphenyl)propan-1-amine
CID 43316823
2-[4-(trifluoromethoxy)phenyl]hexan-3-amine
CID 83048255

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)hexan-3-amine?
The IUPAC name of 2-(3,4-dimethylphenyl)hexan-3-amine (CID 83047483) is 2-(3,4-dimethylphenyl)hexan-3-amine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)hexan-3-amine?
The canonical SMILES for 2-(3,4-dimethylphenyl)hexan-3-amine is CCCC(N)C(C)c1ccc(C)c(C)c1.
What is the InChIKey of 2-(3,4-dimethylphenyl)hexan-3-amine?
The InChIKey is KMBPEBVWANVZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-5-6-14(15)12(4)13-8-7-10(2)11(3)9-13/h7-9,12,14H,5-6,15H2,1-4H3.
What are the key properties of 2-(3,4-dimethylphenyl)hexan-3-amine?
2-(3,4-dimethylphenyl)hexan-3-amine has a molecular weight of 205.34 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)hexan-3-amine is sourced from PubChem (CID 83047483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).