2-adamantyl-(2,4-dimethylphenyl)methanamine

C19H27N — CID 81100693

IUPAC2-adamantyl-(2,4-dimethylphenyl)methanamine
SMILESCc1ccc(C(N)C2C3CC4CC(C3)CC2C4)c(C)c1
InChIInChI=1S/C19H27N/c1-11-3-4-17(12(2)5-11)19(20)18-15-7-13-6-14(9-15)10-16(18)8-13/h3-5,13-16,18-19H,6-10,20H2,1-2H3
InChIKeyDJNKMJNPGTZIML-UHFFFAOYSA-N
MW269.43 g/mol
LogP4.38
Rot. Bonds2

About 2-adamantyl-(2,4-dimethylphenyl)methanamine

2-adamantyl-(2,4-dimethylphenyl)methanamine (PubChem CID 81100693) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-adamantyl-(2,4-dimethylphenyl)methanamine.

Molecular Properties

Compound Name2-adamantyl-(2,4-dimethylphenyl)methanamine
PubChem CID81100693
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC Name2-adamantyl-(2,4-dimethylphenyl)methanamine
SMILESCc1ccc(C(N)C2C3CC4CC(C3)CC2C4)c(C)c1
InChIInChI=1S/C19H27N/c1-11-3-4-17(12(2)5-11)19(20)18-15-7-13-6-14(9-15)10-16(18)8-13/h3-5,13-16,18-19H,6-10,20H2,1-2H3
InChIKeyDJNKMJNPGTZIML-UHFFFAOYSA-N
XLogP4.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-adamantyl-(2,4-dimethylphenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-adamantyl-(2,4-dimethylphenyl)methanamine?
The IUPAC name of 2-adamantyl-(2,4-dimethylphenyl)methanamine (CID 81100693) is 2-adamantyl-(2,4-dimethylphenyl)methanamine.
What is the SMILES notation for 2-adamantyl-(2,4-dimethylphenyl)methanamine?
The canonical SMILES for 2-adamantyl-(2,4-dimethylphenyl)methanamine is Cc1ccc(C(N)C2C3CC4CC(C3)CC2C4)c(C)c1.
What is the InChIKey of 2-adamantyl-(2,4-dimethylphenyl)methanamine?
The InChIKey is DJNKMJNPGTZIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N/c1-11-3-4-17(12(2)5-11)19(20)18-15-7-13-6-14(9-15)10-16(18)8-13/h3-5,13-16,18-19H,6-10,20H2,1-2H3.
What are the key properties of 2-adamantyl-(2,4-dimethylphenyl)methanamine?
2-adamantyl-(2,4-dimethylphenyl)methanamine has a molecular weight of 269.43 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-adamantyl-(2,4-dimethylphenyl)methanamine is sourced from PubChem (CID 81100693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).