N-(2-adamantylmethyl)aniline

C17H23N — CID 81095462

IUPACN-(2-adamantylmethyl)aniline
SMILESc1ccc(NCC2C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C17H23N/c1-2-4-16(5-3-1)18-11-17-14-7-12-6-13(9-14)10-15(17)8-12/h1-5,12-15,17-18H,6-11H2
InChIKeyCTRWYTPTGSEGJS-UHFFFAOYSA-N
MW241.38 g/mol
LogP4.17
Rot. Bonds3

About N-(2-adamantylmethyl)aniline

N-(2-adamantylmethyl)aniline (PubChem CID 81095462) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is N-(2-adamantylmethyl)aniline.

Molecular Properties

Compound NameN-(2-adamantylmethyl)aniline
PubChem CID81095462
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC NameN-(2-adamantylmethyl)aniline
SMILESc1ccc(NCC2C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C17H23N/c1-2-4-16(5-3-1)18-11-17-14-7-12-6-13(9-14)10-15(17)8-12/h1-5,12-15,17-18H,6-11H2
InChIKeyCTRWYTPTGSEGJS-UHFFFAOYSA-N
XLogP4.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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alpha,alpha'-Dianilino-p-xylene
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US9205085, Msx-174
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1,4-Bis-(1-anilinoethyl) benzene
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CID 23656445
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CID 23656600
US9205085, Msx-170
CID 23656601
US9205085, Msx-173
CID 44435744
US9205085, Msx-146
CID 44435745
N-Tritylaniline
CID 138267
1-[4-[1-Adamantyl(phenyl)methyl]phenyl]piperazine
CID 70683538

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantylmethyl)aniline?
The IUPAC name of N-(2-adamantylmethyl)aniline (CID 81095462) is N-(2-adamantylmethyl)aniline.
What is the SMILES notation for N-(2-adamantylmethyl)aniline?
The canonical SMILES for N-(2-adamantylmethyl)aniline is c1ccc(NCC2C3CC4CC(C3)CC2C4)cc1.
What is the InChIKey of N-(2-adamantylmethyl)aniline?
The InChIKey is CTRWYTPTGSEGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-2-4-16(5-3-1)18-11-17-14-7-12-6-13(9-14)10-15(17)8-12/h1-5,12-15,17-18H,6-11H2.
What are the key properties of N-(2-adamantylmethyl)aniline?
N-(2-adamantylmethyl)aniline has a molecular weight of 241.38 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantylmethyl)aniline is sourced from PubChem (CID 81095462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).