2-adamantyl(phenyl)methanamine

C17H23N — CID 81096130

IUPAC2-adamantyl(phenyl)methanamine
SMILESNC(c1ccccc1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H23N/c18-17(13-4-2-1-3-5-13)16-14-7-11-6-12(9-14)10-15(16)8-11/h1-5,11-12,14-17H,6-10,18H2
InChIKeyZPKWLFISHLEUHK-UHFFFAOYSA-N
MW241.38 g/mol
LogP3.76
Rot. Bonds2

About 2-adamantyl(phenyl)methanamine

2-adamantyl(phenyl)methanamine (PubChem CID 81096130) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-adamantyl(phenyl)methanamine.

Molecular Properties

Compound Name2-adamantyl(phenyl)methanamine
PubChem CID81096130
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name2-adamantyl(phenyl)methanamine
SMILESNC(c1ccccc1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H23N/c18-17(13-4-2-1-3-5-13)16-14-7-11-6-12(9-14)10-15(16)8-11/h1-5,11-12,14-17H,6-10,18H2
InChIKeyZPKWLFISHLEUHK-UHFFFAOYSA-N
XLogP3.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[methoxy(phenyl)methyl]adamantane
CID 86199572
(1R)-1-(2-adamantyl)-N-[(1R)-1-phenylethyl]ethanamine
CID 7573924
N-[2-adamantyl(phenyl)methyl]ethanamine
CID 81098673
2-adamantyl-(5-methylthiophen-3-yl)methanamine
CID 104991334
1-(2-adamantyl)-2-(2,6-difluorophenyl)ethanamine
CID 81099599
1-azabicyclo[2.2.2]octan-2-yl(phenyl)methanamine
CID 69149406
N-(1-phenylethyl)adamantan-2-amine
CID 43405877
N-[(1S)-1-phenylethyl]adamantan-2-amine
CID 81350698
(3,5-dimethylpyrazolidin-4-yl)-phenylmethanamine;hydrochloride
CID 75210674
N-(2-amino-2-phenylethyl)adamantane-2-carboxamide
CID 119528854
2-(2-adamantyl)-2-phenoxyacetamide
CID 67285468
cyclohexyl(phenyl)methanamine
CID 11064121

Frequently Asked Questions

What is the IUPAC name of 2-adamantyl(phenyl)methanamine?
The IUPAC name of 2-adamantyl(phenyl)methanamine (CID 81096130) is 2-adamantyl(phenyl)methanamine.
What is the SMILES notation for 2-adamantyl(phenyl)methanamine?
The canonical SMILES for 2-adamantyl(phenyl)methanamine is NC(c1ccccc1)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-adamantyl(phenyl)methanamine?
The InChIKey is ZPKWLFISHLEUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c18-17(13-4-2-1-3-5-13)16-14-7-11-6-12(9-14)10-15(16)8-11/h1-5,11-12,14-17H,6-10,18H2.
What are the key properties of 2-adamantyl(phenyl)methanamine?
2-adamantyl(phenyl)methanamine has a molecular weight of 241.38 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-adamantyl(phenyl)methanamine is sourced from PubChem (CID 81096130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).