2-(1-adamantyl)-N-methyl-1-(4-methylphenyl)ethanamine

C20H29N — CID 79988415

IUPAC2-(1-adamantyl)-N-methyl-1-(4-methylphenyl)ethanamine
SMILESCNC(CC12CC3CC(CC(C3)C1)C2)c1ccc(C)cc1
InChIInChI=1S/C20H29N/c1-14-3-5-18(6-4-14)19(21-2)13-20-10-15-7-16(11-20)9-17(8-15)12-20/h3-6,15-17,19,21H,7-13H2,1-2H3
InChIKeyGMGWHDZWDOXFSY-UHFFFAOYSA-N
MW283.46 g/mol
LogP4.86
Rot. Bonds4

About 2-(1-adamantyl)-N-methyl-1-(4-methylphenyl)ethanamine

2-(1-adamantyl)-N-methyl-1-(4-methylphenyl)ethanamine (PubChem CID 79988415) has the molecular formula C20H29N and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-methyl-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(1-adamantyl)-N-methyl-1-(4-methylphenyl)ethanamine
PubChem CID79988415
Molecular FormulaC20H29N
Molecular Weight283.46 g/mol
Exact Mass283.23
IUPAC Name2-(1-adamantyl)-N-methyl-1-(4-methylphenyl)ethanamine
SMILESCNC(CC12CC3CC(CC(C3)C1)C2)c1ccc(C)cc1
InChIInChI=1S/C20H29N/c1-14-3-5-18(6-4-14)19(21-2)13-20-10-15-7-16(11-20)9-17(8-15)12-20/h3-6,15-17,19,21H,7-13H2,1-2H3
InChIKeyGMGWHDZWDOXFSY-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(1-adamantyl)-N-methyl-1-(4-methylphenyl)ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

2-(1-adamantyl)-N-methyl-1-(5-methylthiophen-2-yl)ethanamine
CID 79988409
[2-(1-adamantyl)-1-phenylethyl]hydrazine
CID 105283021
1-[2-chloro-3-(4-methylphenyl)propyl]adamantane
CID 79996221
(1S)-2-fluoro-N-methyl-1-(4-methylphenyl)ethanamine
CID 90212789
2-(1-adamantyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylethanamine
CID 79988914
2-(1-adamantyl)-1-(cyclohepten-1-yl)-N-methylethanamine
CID 79988682
2-(1-adamantyl)-1-(5-bromo-4-chlorothiophen-2-yl)-N-methylethanamine
CID 80530866
N-methyl-1-(4-methylphenyl)-2-(thian-4-yl)ethanamine
CID 105092320
2-(1-adamantyl)-1-(2,5-dimethylphenyl)ethanamine
CID 79988911
1-[2-chloro-2-(2,4-dimethylphenyl)ethyl]adamantane
CID 79987672
2-(3,4-dimethylpyrrolidin-1-yl)-N-methyl-1-(4-methylphenyl)ethanamine
CID 79188424
1-(1-adamantyl)-N-methyl-3-thiophen-2-ylpropan-2-amine
CID 79988196

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-methyl-1-(4-methylphenyl)ethanamine?
The IUPAC name of 2-(1-adamantyl)-N-methyl-1-(4-methylphenyl)ethanamine (CID 79988415) is 2-(1-adamantyl)-N-methyl-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(1-adamantyl)-N-methyl-1-(4-methylphenyl)ethanamine?
The canonical SMILES for 2-(1-adamantyl)-N-methyl-1-(4-methylphenyl)ethanamine is CNC(CC12CC3CC(CC(C3)C1)C2)c1ccc(C)cc1.
What is the InChIKey of 2-(1-adamantyl)-N-methyl-1-(4-methylphenyl)ethanamine?
The InChIKey is GMGWHDZWDOXFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N/c1-14-3-5-18(6-4-14)19(21-2)13-20-10-15-7-16(11-20)9-17(8-15)12-20/h3-6,15-17,19,21H,7-13H2,1-2H3.
What are the key properties of 2-(1-adamantyl)-N-methyl-1-(4-methylphenyl)ethanamine?
2-(1-adamantyl)-N-methyl-1-(4-methylphenyl)ethanamine has a molecular weight of 283.46 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-methyl-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 79988415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).