2-(1-adamantyl)-1-(2,5-dimethylphenyl)ethanamine

C20H29N — CID 79988911

IUPAC2-(1-adamantyl)-1-(2,5-dimethylphenyl)ethanamine
SMILESCc1ccc(C)c(C(N)CC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C20H29N/c1-13-3-4-14(2)18(5-13)19(21)12-20-9-15-6-16(10-20)8-17(7-15)11-20/h3-5,15-17,19H,6-12,21H2,1-2H3
InChIKeyASOIGAVAVXLBAO-UHFFFAOYSA-N
MW283.46 g/mol
LogP4.91
Rot. Bonds3

About 2-(1-adamantyl)-1-(2,5-dimethylphenyl)ethanamine

2-(1-adamantyl)-1-(2,5-dimethylphenyl)ethanamine (PubChem CID 79988911) has the molecular formula C20H29N and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-(1-adamantyl)-1-(2,5-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(1-adamantyl)-1-(2,5-dimethylphenyl)ethanamine
PubChem CID79988911
Molecular FormulaC20H29N
Molecular Weight283.46 g/mol
Exact Mass283.23
IUPAC Name2-(1-adamantyl)-1-(2,5-dimethylphenyl)ethanamine
SMILESCc1ccc(C)c(C(N)CC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C20H29N/c1-13-3-4-14(2)18(5-13)19(21)12-20-9-15-6-16(10-20)8-17(7-15)11-20/h3-5,15-17,19H,6-12,21H2,1-2H3
InChIKeyASOIGAVAVXLBAO-UHFFFAOYSA-N
XLogP4.91
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 ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1-adamantyl)-1-(2,5-dimethylthiophen-3-yl)ethanamine
CID 79987478
1-[2-chloro-2-(2,4-dimethylphenyl)ethyl]adamantane
CID 79987672
1-(2,5-dimethylphenyl)-2-(1-methoxycyclobutyl)ethanamine
CID 103556115
2-chloro-1-(2,5-dimethylphenyl)ethanamine
CID 116937497
1-(2,5-dimethylphenyl)propane-1,3-diamine
CID 116932732
1-(2,5-dimethylphenyl)butane-1,3-diamine
CID 116933200
1-(2,5-dimethylphenyl)-4-methylpentan-1-amine
CID 43100717
(2,5-dimethylphenyl)-(2-methylcyclopropyl)methanamine
CID 43198556
(4R)-4-amino-4-(2,5-dimethylphenyl)butan-1-ol
CID 55265559
2-cyclobutyloxy-1-(2,5-dimethylphenyl)ethanamine
CID 62141393
1-[2-chloro-3-(4-methylphenyl)propyl]adamantane
CID 79996221
1-(2,5-dimethylphenyl)ethanamine
CID 4991344

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-1-(2,5-dimethylphenyl)ethanamine?
The IUPAC name of 2-(1-adamantyl)-1-(2,5-dimethylphenyl)ethanamine (CID 79988911) is 2-(1-adamantyl)-1-(2,5-dimethylphenyl)ethanamine.
What is the SMILES notation for 2-(1-adamantyl)-1-(2,5-dimethylphenyl)ethanamine?
The canonical SMILES for 2-(1-adamantyl)-1-(2,5-dimethylphenyl)ethanamine is Cc1ccc(C)c(C(N)CC23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of 2-(1-adamantyl)-1-(2,5-dimethylphenyl)ethanamine?
The InChIKey is ASOIGAVAVXLBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N/c1-13-3-4-14(2)18(5-13)19(21)12-20-9-15-6-16(10-20)8-17(7-15)11-20/h3-5,15-17,19H,6-12,21H2,1-2H3.
What are the key properties of 2-(1-adamantyl)-1-(2,5-dimethylphenyl)ethanamine?
2-(1-adamantyl)-1-(2,5-dimethylphenyl)ethanamine has a molecular weight of 283.46 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-1-(2,5-dimethylphenyl)ethanamine is sourced from PubChem (CID 79988911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).