1-(3,5-dimethylphenyl)-3,4-dimethylpentan-2-amine

C15H25N — CID 115800723

IUPAC1-(3,5-dimethylphenyl)-3,4-dimethylpentan-2-amine
SMILESCc1cc(C)cc(CC(N)C(C)C(C)C)c1
InChIInChI=1S/C15H25N/c1-10(2)13(5)15(16)9-14-7-11(3)6-12(4)8-14/h6-8,10,13,15H,9,16H2,1-5H3
InChIKeyZSRXKEQXVLYHBM-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.47
Rot. Bonds4

About 1-(3,5-dimethylphenyl)-3,4-dimethylpentan-2-amine

1-(3,5-dimethylphenyl)-3,4-dimethylpentan-2-amine (PubChem CID 115800723) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3,4-dimethylpentan-2-amine
PubChem CID115800723
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name1-(3,5-dimethylphenyl)-3,4-dimethylpentan-2-amine
SMILESCc1cc(C)cc(CC(N)C(C)C(C)C)c1
InChIInChI=1S/C15H25N/c1-10(2)13(5)15(16)9-14-7-11(3)6-12(4)8-14/h6-8,10,13,15H,9,16H2,1-5H3
InChIKeyZSRXKEQXVLYHBM-UHFFFAOYSA-N
XLogP3.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,5-dimethylphenyl)-N,3,4-trimethylpentan-2-amine
CID 115800285
1-(3,5-dimethylphenyl)-3-methylheptan-2-amine
CID 114246295
(2S)-1-(3,5-dimethylphenyl)butan-2-amine
CID 104932267
1,2-bis(3,5-dimethylphenyl)ethanamine
CID 55096005
(2R)-1-(3,5-dimethylphenyl)propan-2-ol
CID 93461855
3-methyl-5-(2-methylpropyl)aniline
CID 107579541
1-(2-chloro-4-methylphenyl)-3,4-dimethylpentan-2-amine
CID 106866564
1,3-bis(3,5-dimethylphenyl)propan-2-ol
CID 63411020
1-[1-(3,5-dimethylphenyl)butan-2-yl]-3,5-dimethylbenzene
CID 175315928
1-(3-chloro-2-methylpropyl)-3,5-dimethylbenzene
CID 64666954
2-[(3,5-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine
CID 62529340
1,3-dimethyl-5-(2-methylpent-3-ynyl)benzene
CID 83922391

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3,4-dimethylpentan-2-amine?
The IUPAC name of 1-(3,5-dimethylphenyl)-3,4-dimethylpentan-2-amine (CID 115800723) is 1-(3,5-dimethylphenyl)-3,4-dimethylpentan-2-amine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3,4-dimethylpentan-2-amine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3,4-dimethylpentan-2-amine is Cc1cc(C)cc(CC(N)C(C)C(C)C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3,4-dimethylpentan-2-amine?
The InChIKey is ZSRXKEQXVLYHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-10(2)13(5)15(16)9-14-7-11(3)6-12(4)8-14/h6-8,10,13,15H,9,16H2,1-5H3.
What are the key properties of 1-(3,5-dimethylphenyl)-3,4-dimethylpentan-2-amine?
1-(3,5-dimethylphenyl)-3,4-dimethylpentan-2-amine has a molecular weight of 219.37 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3,4-dimethylpentan-2-amine is sourced from PubChem (CID 115800723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).