3-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]adamantan-1-ol

C28H30ClNO2 — CID 17216503

IUPAC3-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]adamantan-1-ol
SMILESOC12CC3CC(C1)CC(NCc1c(OCc4ccccc4Cl)ccc4ccccc14)(C3)C2
InChIInChI=1S/C28H30ClNO2/c29-25-8-4-2-6-22(25)17-32-26-10-9-21-5-1-3-7-23(21)24(26)16-30-27-12-19-11-20(13-27)15-28(31,14-19)18-27/h1-10,19-20,30-31H,11-18H2
InChIKeyNOOYSVZKFNZYBJ-UHFFFAOYSA-N
MW448.01 g/mol
LogP6.25
Rot. Bonds6

About 3-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]adamantan-1-ol

3-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]adamantan-1-ol (PubChem CID 17216503) has the molecular formula C28H30ClNO2 and a molecular weight of 448.01 g/mol. Its IUPAC name is 3-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]adamantan-1-ol.

Molecular Properties

Compound Name3-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]adamantan-1-ol
PubChem CID17216503
Molecular FormulaC28H30ClNO2
Molecular Weight448.01 g/mol
Exact Mass447.20
IUPAC Name3-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]adamantan-1-ol
SMILESOC12CC3CC(C1)CC(NCc1c(OCc4ccccc4Cl)ccc4ccccc14)(C3)C2
InChIInChI=1S/C28H30ClNO2/c29-25-8-4-2-6-22(25)17-32-26-10-9-21-5-1-3-7-23(21)24(26)16-30-27-12-19-11-20(13-27)15-28(31,14-19)18-27/h1-10,19-20,30-31H,11-18H2
InChIKeyNOOYSVZKFNZYBJ-UHFFFAOYSA-N
XLogP6.25
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.01
LogP ≤ 56.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]adamantan-1-ol 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

(5R,7R)-3-[(2-chlorophenyl)methylamino]adamantan-1-ol
CID 98296417
3-[(2,6-dichlorophenyl)methylamino]adamantan-1-ol
CID 17216509
(1S)-1-(1-adamantyl)-N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine
CID 27209522
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine
CID 4716502
2-[2-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethoxy]ethanol;hydrochloride
CID 17155181
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]prop-2-en-1-amine
CID 4717903
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]adamantan-1-amine
CID 4721676
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]pentan-1-amine
CID 4722236
(3S,5R)-3,5-dimethyl-N-[(2-propoxynaphthalen-1-yl)methyl]adamantan-1-amine
CID 29225434
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4724097
N-[(2-chlorophenyl)methyl]adamantan-1-amine
CID 4719217
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207194

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]adamantan-1-ol?
The IUPAC name of 3-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]adamantan-1-ol (CID 17216503) is 3-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]adamantan-1-ol.
What is the SMILES notation for 3-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]adamantan-1-ol?
The canonical SMILES for 3-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]adamantan-1-ol is OC12CC3CC(C1)CC(NCc1c(OCc4ccccc4Cl)ccc4ccccc14)(C3)C2.
What is the InChIKey of 3-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]adamantan-1-ol?
The InChIKey is NOOYSVZKFNZYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClNO2/c29-25-8-4-2-6-22(25)17-32-26-10-9-21-5-1-3-7-23(21)24(26)16-30-27-12-19-11-20(13-27)15-28(31,14-19)18-27/h1-10,19-20,30-31H,11-18H2.
What are the key properties of 3-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]adamantan-1-ol?
3-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]adamantan-1-ol has a molecular weight of 448.01 g/mol, XLogP of 6.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]adamantan-1-ol is sourced from PubChem (CID 17216503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).