4-anilinoadamantan-1-ol;hydrochloride

C16H22ClNO — CID 2847326

IUPAC4-anilinoadamantan-1-ol;hydrochloride
SMILESCl.OC12CC3CC(C1)C(Nc1ccccc1)C(C3)C2
InChIInChI=1S/C16H21NO.ClH/c18-16-8-11-6-12(9-16)15(13(7-11)10-16)17-14-4-2-1-3-5-14;/h1-5,11-13,15,17-18H,6-10H2;1H
InChIKeyUEBVIKDNROGMLD-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.46
Rot. Bonds2

About 4-anilinoadamantan-1-ol;hydrochloride

4-anilinoadamantan-1-ol;hydrochloride (PubChem CID 2847326) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is 4-anilinoadamantan-1-ol;hydrochloride.

Molecular Properties

Compound Name4-anilinoadamantan-1-ol;hydrochloride
PubChem CID2847326
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC Name4-anilinoadamantan-1-ol;hydrochloride
SMILESCl.OC12CC3CC(C1)C(Nc1ccccc1)C(C3)C2
InChIInChI=1S/C16H21NO.ClH/c18-16-8-11-6-12(9-16)15(13(7-11)10-16)17-14-4-2-1-3-5-14;/h1-5,11-13,15,17-18H,6-10H2;1H
InChIKeyUEBVIKDNROGMLD-UHFFFAOYSA-N
XLogP3.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-anilinoadamantan-1-ol;hydrochloride 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

3-(Anilinomethyl)adamantan-1-ol;hydrochloride
CID 137651945
Aniline, N-(2-adamantyl)-
CID 40580
N-(5-hydroxyadamant-2-yl)-p-fluoroaniline
CID 12037666
N-(5-hydroxyadamant-2-yl)aniline
CID 2847327
4-{1-[4-(Trifluoromethyl)anilino]propan-2-yl}-adamantan-1-ol
CID 132275913
4-[2-(4-Fluoroanilino)ethyl]adamantan-1-ol
CID 132275954
3-(Anilinomethyl)adamantan-1-ol
CID 132276190
N-[2-(1-adamantyloxy)ethyl]-4-fluoroaniline
CID 133063996
4-(Benzylamino)tricyclo[3.3.1.1~3,7~]decan-1-ol
CID 2990088
4-[(4-Fluorophenyl)methylamino]adamantan-1-ol
CID 59294647
(2R,4aS,4bR,6aS,7R,10aS,10bR,12aR)-7-(4-fluoroanilino)-2,6a-dimethyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol
CID 165371663
(2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-7-(3-fluoroanilino)-2,6a-dimethyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol
CID 165371767

Frequently Asked Questions

What is the IUPAC name of 4-anilinoadamantan-1-ol;hydrochloride?
The IUPAC name of 4-anilinoadamantan-1-ol;hydrochloride (CID 2847326) is 4-anilinoadamantan-1-ol;hydrochloride.
What is the SMILES notation for 4-anilinoadamantan-1-ol;hydrochloride?
The canonical SMILES for 4-anilinoadamantan-1-ol;hydrochloride is Cl.OC12CC3CC(C1)C(Nc1ccccc1)C(C3)C2.
What is the InChIKey of 4-anilinoadamantan-1-ol;hydrochloride?
The InChIKey is UEBVIKDNROGMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO.ClH/c18-16-8-11-6-12(9-16)15(13(7-11)10-16)17-14-4-2-1-3-5-14;/h1-5,11-13,15,17-18H,6-10H2;1H.
What are the key properties of 4-anilinoadamantan-1-ol;hydrochloride?
4-anilinoadamantan-1-ol;hydrochloride has a molecular weight of 279.81 g/mol, XLogP of 3.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilinoadamantan-1-ol;hydrochloride is sourced from PubChem (CID 2847326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).