N-(1-chloronaphthalen-2-yl)-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-2'-amine

C32H30ClN — CID 164819543

IUPACN-(1-chloronaphthalen-2-yl)-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-2'-amine
SMILESCC1CC2CCC3(c4ccccc4-c4ccc(Nc5ccc6ccccc6c5Cl)cc43)C(C1)C2
InChIInChI=1S/C32H30ClN/c1-20-16-21-14-15-32(23(17-20)18-21)28-9-5-4-8-26(28)27-12-11-24(19-29(27)32)34-30-13-10-22-6-2-3-7-25(22)31(30)33/h2-13,19-21,23,34H,14-18H2,1H3
InChIKeyZVVQIYIRSAFIGD-UHFFFAOYSA-N
MW464.05 g/mol
LogP9.35
Rot. Bonds2

About N-(1-chloronaphthalen-2-yl)-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-2'-amine

N-(1-chloronaphthalen-2-yl)-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-2'-amine (PubChem CID 164819543) has the molecular formula C32H30ClN and a molecular weight of 464.05 g/mol. Its IUPAC name is N-(1-chloronaphthalen-2-yl)-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN-(1-chloronaphthalen-2-yl)-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-2'-amine
PubChem CID164819543
Molecular FormulaC32H30ClN
Molecular Weight464.05 g/mol
Exact Mass463.21
IUPAC NameN-(1-chloronaphthalen-2-yl)-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-2'-amine
SMILESCC1CC2CCC3(c4ccccc4-c4ccc(Nc5ccc6ccccc6c5Cl)cc43)C(C1)C2
InChIInChI=1S/C32H30ClN/c1-20-16-21-14-15-32(23(17-20)18-21)28-9-5-4-8-26(28)27-12-11-24(19-29(27)32)34-30-13-10-22-6-2-3-7-25(22)31(30)33/h2-13,19-21,23,34H,14-18H2,1H3
InChIKeyZVVQIYIRSAFIGD-UHFFFAOYSA-N
XLogP9.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.05
LogP ≤ 59.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(1-chloronaphthalen-2-yl)-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-2'-amine 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

N-(3-chloronaphthalen-2-yl)-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-4'-amine
CID 164819461
2'-(4-chlorophenyl)-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]
CID 166808088
7'-methylspiro[12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene-22,2'-bicyclo[3.3.1]nonane]
CID 164819376
4'-chloro-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]
CID 164819571
7-methyl-1'-(3-nitronaphthalen-2-yl)spiro[bicyclo[3.3.1]nonane-2,9'-fluorene]
CID 164819440
12-(3-dibenzofuran-4-ylphenyl)-7'-methylspiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,2'-bicyclo[3.3.1]nonane]
CID 164819456
(1R,2R,4S)-N-(3-methylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 171720729
2-(5-chloro-2-phenylphenyl)-7-methylbicyclo[3.3.1]nonan-2-ol
CID 164819418
7-methyl-4'-(2-nitrophenyl)spiro[bicyclo[3.3.1]nonane-2,9'-fluorene]
CID 164819532
4,4,5,5-tetramethyl-2-(7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-4'-yl)-1,3,2-dioxaborolane
CID 164819559
N-[1-(9,9-dimethylfluoren-1-yl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine
CID 168801776
N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-amine
CID 167288875

Frequently Asked Questions

What is the IUPAC name of N-(1-chloronaphthalen-2-yl)-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-2'-amine?
The IUPAC name of N-(1-chloronaphthalen-2-yl)-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-2'-amine (CID 164819543) is N-(1-chloronaphthalen-2-yl)-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-2'-amine.
What is the SMILES notation for N-(1-chloronaphthalen-2-yl)-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-2'-amine?
The canonical SMILES for N-(1-chloronaphthalen-2-yl)-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-2'-amine is CC1CC2CCC3(c4ccccc4-c4ccc(Nc5ccc6ccccc6c5Cl)cc43)C(C1)C2.
What is the InChIKey of N-(1-chloronaphthalen-2-yl)-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-2'-amine?
The InChIKey is ZVVQIYIRSAFIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30ClN/c1-20-16-21-14-15-32(23(17-20)18-21)28-9-5-4-8-26(28)27-12-11-24(19-29(27)32)34-30-13-10-22-6-2-3-7-25(22)31(30)33/h2-13,19-21,23,34H,14-18H2,1H3.
What are the key properties of N-(1-chloronaphthalen-2-yl)-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-2'-amine?
N-(1-chloronaphthalen-2-yl)-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-2'-amine has a molecular weight of 464.05 g/mol, XLogP of 9.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloronaphthalen-2-yl)-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-2'-amine is sourced from PubChem (CID 164819543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).