1-(3,5-dimethylphenyl)-3-methylheptan-2-amine

C16H27N — CID 114246295

IUPAC1-(3,5-dimethylphenyl)-3-methylheptan-2-amine
SMILESCCCCC(C)C(N)Cc1cc(C)cc(C)c1
InChIInChI=1S/C16H27N/c1-5-6-7-14(4)16(17)11-15-9-12(2)8-13(3)10-15/h8-10,14,16H,5-7,11,17H2,1-4H3
InChIKeyBMSFABINRWGODD-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.00
Rot. Bonds6

About 1-(3,5-dimethylphenyl)-3-methylheptan-2-amine

1-(3,5-dimethylphenyl)-3-methylheptan-2-amine (PubChem CID 114246295) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-methylheptan-2-amine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-methylheptan-2-amine
PubChem CID114246295
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name1-(3,5-dimethylphenyl)-3-methylheptan-2-amine
SMILESCCCCC(C)C(N)Cc1cc(C)cc(C)c1
InChIInChI=1S/C16H27N/c1-5-6-7-14(4)16(17)11-15-9-12(2)8-13(3)10-15/h8-10,14,16H,5-7,11,17H2,1-4H3
InChIKeyBMSFABINRWGODD-UHFFFAOYSA-N
XLogP4.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,5-dimethylphenyl)undecan-2-amine
CID 63416207
1-(3,4-difluorophenyl)-3-methylheptan-2-amine
CID 114246498
1-(3,5-dimethylphenyl)-3,4-dimethylpentan-2-amine
CID 115800723
1-(3,5-dimethylphenyl)-N-propylhexan-2-amine
CID 63416565
[1-(3,5-dimethylphenyl)-3-methylhexan-2-yl]hydrazine
CID 105287241
(2S)-1-(3,5-dimethylphenyl)butan-2-amine
CID 104932267
1-(3,5-dimethylphenyl)nonan-2-ylhydrazine
CID 105212626
1-(3,5-dimethylphenyl)-2-methylpentan-3-ol
CID 63562396
3-methyl-1-(2,4,6-trimethylphenyl)pentan-2-amine
CID 63716659
3-methyl-1-(3-methylphenyl)pentan-2-amine
CID 62388327
(1R)-1-(3,5-dimethylphenyl)hexan-1-amine
CID 171202167
1-(3,4-dichlorophenyl)-3-methylhexan-2-amine
CID 63528315

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-methylheptan-2-amine?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-methylheptan-2-amine (CID 114246295) is 1-(3,5-dimethylphenyl)-3-methylheptan-2-amine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-methylheptan-2-amine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-methylheptan-2-amine is CCCCC(C)C(N)Cc1cc(C)cc(C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-methylheptan-2-amine?
The InChIKey is BMSFABINRWGODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-5-6-7-14(4)16(17)11-15-9-12(2)8-13(3)10-15/h8-10,14,16H,5-7,11,17H2,1-4H3.
What are the key properties of 1-(3,5-dimethylphenyl)-3-methylheptan-2-amine?
1-(3,5-dimethylphenyl)-3-methylheptan-2-amine has a molecular weight of 233.40 g/mol, XLogP of 4.00, 6 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-methylheptan-2-amine is sourced from PubChem (CID 114246295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).