1-(2-adamantyl)-2-(3,4-dimethylphenyl)ethanamine

C20H29N — CID 81099428

IUPAC1-(2-adamantyl)-2-(3,4-dimethylphenyl)ethanamine
SMILESCc1ccc(CC(N)C2C3CC4CC(C3)CC2C4)cc1C
InChIInChI=1S/C20H29N/c1-12-3-4-14(5-13(12)2)11-19(21)20-17-7-15-6-16(9-17)10-18(20)8-15/h3-5,15-20H,6-11,21H2,1-2H3
InChIKeyBCXGPFKFSFFTMY-UHFFFAOYSA-N
MW283.46 g/mol
LogP4.25
Rot. Bonds3

About 1-(2-adamantyl)-2-(3,4-dimethylphenyl)ethanamine

1-(2-adamantyl)-2-(3,4-dimethylphenyl)ethanamine (PubChem CID 81099428) has the molecular formula C20H29N and a molecular weight of 283.46 g/mol. Its IUPAC name is 1-(2-adamantyl)-2-(3,4-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2-adamantyl)-2-(3,4-dimethylphenyl)ethanamine
PubChem CID81099428
Molecular FormulaC20H29N
Molecular Weight283.46 g/mol
Exact Mass283.23
IUPAC Name1-(2-adamantyl)-2-(3,4-dimethylphenyl)ethanamine
SMILESCc1ccc(CC(N)C2C3CC4CC(C3)CC2C4)cc1C
InChIInChI=1S/C20H29N/c1-12-3-4-14(5-13(12)2)11-19(21)20-17-7-15-6-16(9-17)10-18(20)8-15/h3-5,15-20H,6-11,21H2,1-2H3
InChIKeyBCXGPFKFSFFTMY-UHFFFAOYSA-N
XLogP4.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-adamantyl)-2-(4-iodophenyl)ethanamine
CID 115864147
2-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine
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2-(3,4-dimethylphenyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 63522355
1-(2-bicyclo[2.2.1]heptanyl)-2-(3,4-dimethylphenyl)ethanol
CID 63017843
2-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 55086765
1-(2-adamantyl)-2-(2,6-difluorophenyl)ethanamine
CID 81099599
1-(3,4-dimethylphenyl)-3-propan-2-ylsulfanylpropan-2-amine
CID 65131827
4-[2-bromo-2-(2-methylcyclopropyl)ethyl]-1,2-dimethylbenzene
CID 63543771
1,2-dimethyl-4-(2-methylpropyl)benzene;methane
CID 143912284
1,3-bis(3,4-dimethylphenyl)propan-2-ylhydrazine
CID 105215161
4-(2-chloro-3-methylbutyl)-1,2-dimethylbenzene
CID 63520209
2-(3-bromo-4-methylphenyl)-1-cyclopropylethanamine
CID 69076107

Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-2-(3,4-dimethylphenyl)ethanamine?
The IUPAC name of 1-(2-adamantyl)-2-(3,4-dimethylphenyl)ethanamine (CID 81099428) is 1-(2-adamantyl)-2-(3,4-dimethylphenyl)ethanamine.
What is the SMILES notation for 1-(2-adamantyl)-2-(3,4-dimethylphenyl)ethanamine?
The canonical SMILES for 1-(2-adamantyl)-2-(3,4-dimethylphenyl)ethanamine is Cc1ccc(CC(N)C2C3CC4CC(C3)CC2C4)cc1C.
What is the InChIKey of 1-(2-adamantyl)-2-(3,4-dimethylphenyl)ethanamine?
The InChIKey is BCXGPFKFSFFTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N/c1-12-3-4-14(5-13(12)2)11-19(21)20-17-7-15-6-16(9-17)10-18(20)8-15/h3-5,15-20H,6-11,21H2,1-2H3.
What are the key properties of 1-(2-adamantyl)-2-(3,4-dimethylphenyl)ethanamine?
1-(2-adamantyl)-2-(3,4-dimethylphenyl)ethanamine has a molecular weight of 283.46 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-2-(3,4-dimethylphenyl)ethanamine is sourced from PubChem (CID 81099428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).