(1R)-5-[(4-chlorophenyl)methylidene]-1-[(dimethylamino)methyl]-2,2-dimethylcyclopentan-1-ol

C17H24ClNO — CID 68554310

IUPAC(1R)-5-[(4-chlorophenyl)methylidene]-1-[(dimethylamino)methyl]-2,2-dimethylcyclopentan-1-ol
SMILESCN(C)C[C@]1(O)C(=Cc2ccc(Cl)cc2)CCC1(C)C
InChIInChI=1S/C17H24ClNO/c1-16(2)10-9-14(17(16,20)12-19(3)4)11-13-5-7-15(18)8-6-13/h5-8,11,20H,9-10,12H2,1-4H3/t17-/m0/s1
InChIKeyNBYNFKZFXBVPKR-KRWDZBQOSA-N
MW293.84 g/mol
LogP3.84
Rot. Bonds3

About (1R)-5-[(4-chlorophenyl)methylidene]-1-[(dimethylamino)methyl]-2,2-dimethylcyclopentan-1-ol

(1R)-5-[(4-chlorophenyl)methylidene]-1-[(dimethylamino)methyl]-2,2-dimethylcyclopentan-1-ol (PubChem CID 68554310) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is (1R)-5-[(4-chlorophenyl)methylidene]-1-[(dimethylamino)methyl]-2,2-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name(1R)-5-[(4-chlorophenyl)methylidene]-1-[(dimethylamino)methyl]-2,2-dimethylcyclopentan-1-ol
PubChem CID68554310
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC Name(1R)-5-[(4-chlorophenyl)methylidene]-1-[(dimethylamino)methyl]-2,2-dimethylcyclopentan-1-ol
SMILESCN(C)C[C@]1(O)C(=Cc2ccc(Cl)cc2)CCC1(C)C
InChIInChI=1S/C17H24ClNO/c1-16(2)10-9-14(17(16,20)12-19(3)4)11-13-5-7-15(18)8-6-13/h5-8,11,20H,9-10,12H2,1-4H3/t17-/m0/s1
InChIKeyNBYNFKZFXBVPKR-KRWDZBQOSA-N
XLogP3.84
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(5Z)-5-[(4-chlorophenyl)methylidene]-1-hydroxy-2,2-dimethylcyclopentyl]methyl]-1H-1,2,4-triazole-3-thione
CID 10959031
2-[(4-chlorophenyl)methylidene]-1-(cyclohexylmethyl)-6-[(dimethylamino)methyl]cyclohexan-1-ol
CID 69340184
(2Z)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]-1-ethenylcyclohexan-1-ol
CID 22642742
5-[(4-chlorophenyl)methylidene]-2,2-diethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol
CID 54225475
(3Z)-3-[(4-chlorophenyl)methylidene]-2,2-diethyloxolane
CID 177462399
1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylmethanamine
CID 169436266
(2E)-1-(4-tert-butylphenyl)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]cyclohexan-1-ol
CID 10112331
2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]-1-[(3-fluorophenyl)methyl]cyclohexan-1-ol
CID 69339698
1-[1-(4-chlorophenyl)cyclopropyl]-N,N-dimethylmethanamine
CID 21365272
(2Z)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]-1-(4-fluoro-3-methylphenyl)cyclohexan-1-ol
CID 22643038
5-[(4-chlorophenyl)methylidene]-1-(imidazol-1-ylmethyl)-2,2-dimethylcyclohexan-1-ol
CID 44522284
1-chloro-4-[(E)-(2,3,3-trimethylcyclopentylidene)methyl]benzene
CID 143542593

Frequently Asked Questions

What is the IUPAC name of (1R)-5-[(4-chlorophenyl)methylidene]-1-[(dimethylamino)methyl]-2,2-dimethylcyclopentan-1-ol?
The IUPAC name of (1R)-5-[(4-chlorophenyl)methylidene]-1-[(dimethylamino)methyl]-2,2-dimethylcyclopentan-1-ol (CID 68554310) is (1R)-5-[(4-chlorophenyl)methylidene]-1-[(dimethylamino)methyl]-2,2-dimethylcyclopentan-1-ol.
What is the SMILES notation for (1R)-5-[(4-chlorophenyl)methylidene]-1-[(dimethylamino)methyl]-2,2-dimethylcyclopentan-1-ol?
The canonical SMILES for (1R)-5-[(4-chlorophenyl)methylidene]-1-[(dimethylamino)methyl]-2,2-dimethylcyclopentan-1-ol is CN(C)C[C@]1(O)C(=Cc2ccc(Cl)cc2)CCC1(C)C.
What is the InChIKey of (1R)-5-[(4-chlorophenyl)methylidene]-1-[(dimethylamino)methyl]-2,2-dimethylcyclopentan-1-ol?
The InChIKey is NBYNFKZFXBVPKR-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H24ClNO/c1-16(2)10-9-14(17(16,20)12-19(3)4)11-13-5-7-15(18)8-6-13/h5-8,11,20H,9-10,12H2,1-4H3/t17-/m0/s1.
What are the key properties of (1R)-5-[(4-chlorophenyl)methylidene]-1-[(dimethylamino)methyl]-2,2-dimethylcyclopentan-1-ol?
(1R)-5-[(4-chlorophenyl)methylidene]-1-[(dimethylamino)methyl]-2,2-dimethylcyclopentan-1-ol has a molecular weight of 293.84 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-5-[(4-chlorophenyl)methylidene]-1-[(dimethylamino)methyl]-2,2-dimethylcyclopentan-1-ol is sourced from PubChem (CID 68554310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).