2-(2-aminophenyl)adamantane-2-carbonitrile

C17H20N2 — CID 4658712

IUPAC2-(2-aminophenyl)adamantane-2-carbonitrile
SMILESN#CC1(c2ccccc2N)C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H20N2/c18-10-17(15-3-1-2-4-16(15)19)13-6-11-5-12(8-13)9-14(17)7-11/h1-4,11-14H,5-9,19H2
InChIKeyVFMXESFAQYOJET-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.49
Rot. Bonds1

About 2-(2-aminophenyl)adamantane-2-carbonitrile

2-(2-aminophenyl)adamantane-2-carbonitrile (PubChem CID 4658712) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(2-aminophenyl)adamantane-2-carbonitrile.

Molecular Properties

Compound Name2-(2-aminophenyl)adamantane-2-carbonitrile
PubChem CID4658712
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name2-(2-aminophenyl)adamantane-2-carbonitrile
SMILESN#CC1(c2ccccc2N)C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H20N2/c18-10-17(15-3-1-2-4-16(15)19)13-6-11-5-12(8-13)9-14(17)7-11/h1-4,11-14H,5-9,19H2
InChIKeyVFMXESFAQYOJET-UHFFFAOYSA-N
XLogP3.49
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(2-aminophenyl)adamantane-2-carbonitrile 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

2,2-bis(2-methylphenyl)adamantane
CID 173019574
2-(2-aminophenyl)bicyclo[2.2.1]heptan-2-ol;ethane
CID 90802702
2-(2-methylphenyl)adamantan-2-ol
CID 14198294
10-iodospiro[acridine-9,2'-adamantane]
CID 163688749
2-(2-chloroanilino)adamantane-2-carbonitrile
CID 62780643
N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
CID 166050353
6-amino-3-[2-(4-amino-3-hydroxy-2-phenoxyphenyl)-2-adamantyl]-2-phenoxyphenol
CID 69036012
2-(1-adamantyl)-6-aminophenol
CID 141137545
CID 15960717
CID 15960717
2-naphthalen-1-yl-2-phenyladamantane
CID 162698485
4-[2-(9H-fluoren-4-yl)-2-adamantyl]-9H-fluorene
CID 163498832
acetylene;1,2-difluorobenzene;bis(2-(2-fluorophenyl)bicyclo[2.2.1]heptane-2-carbonitrile)
CID 159789998

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)adamantane-2-carbonitrile?
The IUPAC name of 2-(2-aminophenyl)adamantane-2-carbonitrile (CID 4658712) is 2-(2-aminophenyl)adamantane-2-carbonitrile.
What is the SMILES notation for 2-(2-aminophenyl)adamantane-2-carbonitrile?
The canonical SMILES for 2-(2-aminophenyl)adamantane-2-carbonitrile is N#CC1(c2ccccc2N)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-(2-aminophenyl)adamantane-2-carbonitrile?
The InChIKey is VFMXESFAQYOJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c18-10-17(15-3-1-2-4-16(15)19)13-6-11-5-12(8-13)9-14(17)7-11/h1-4,11-14H,5-9,19H2.
What are the key properties of 2-(2-aminophenyl)adamantane-2-carbonitrile?
2-(2-aminophenyl)adamantane-2-carbonitrile has a molecular weight of 252.36 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)adamantane-2-carbonitrile is sourced from PubChem (CID 4658712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).