1-[2-[2-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]ethanol;titanium(2+);dichloride

C20H23Cl2NOTi — CID 87493909

IUPAC1-[2-[2-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]ethanol;titanium(2+);dichloride
SMILESCC(O)c1c(C2=C(CN(C)C)C=CC2)ccc2ccccc12.[Cl-].[Cl-].[Ti+2]
InChIInChI=1S/C20H23NO.2ClH.Ti/c1-14(22)20-18-9-5-4-7-15(18)11-12-19(20)17-10-6-8-16(17)13-21(2)3;;;/h4-9,11-12,14,22H,10,13H2,1-3H3;2*1H;/q;;;+2/p-2
InChIKeyASZFMFIYOVTUAW-UHFFFAOYSA-L
MW412.18 g/mol
LogP-1.83
Rot. Bonds4

About 1-[2-[2-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]ethanol;titanium(2+);dichloride

1-[2-[2-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]ethanol;titanium(2+);dichloride (PubChem CID 87493909) has the molecular formula C20H23Cl2NOTi and a molecular weight of 412.18 g/mol. Its IUPAC name is 1-[2-[2-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]ethanol;titanium(2+);dichloride.

Molecular Properties

Compound Name1-[2-[2-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]ethanol;titanium(2+);dichloride
PubChem CID87493909
Molecular FormulaC20H23Cl2NOTi
Molecular Weight412.18 g/mol
Exact Mass411.06
IUPAC Name1-[2-[2-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]ethanol;titanium(2+);dichloride
SMILESCC(O)c1c(C2=C(CN(C)C)C=CC2)ccc2ccccc12.[Cl-].[Cl-].[Ti+2]
InChIInChI=1S/C20H23NO.2ClH.Ti/c1-14(22)20-18-9-5-4-7-15(18)11-12-19(20)17-10-6-8-16(17)13-21(2)3;;;/h4-9,11-12,14,22H,10,13H2,1-3H3;2*1H;/q;;;+2/p-2
InChIKeyASZFMFIYOVTUAW-UHFFFAOYSA-L
XLogP-1.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.18
LogP ≤ 5-1.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-[2-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]ethanol;titanium(2+);dichloride 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

1-[2-[2-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]ethanol
CID 68548803
1-[2-(2-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]ethanol
CID 68548317
[2-[2-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]methyl-(2,4,6-trimethylphenyl)azanide;titanium(3+);dichloride
CID 87501372
1-[2-[3-(2,2-dimethylpropanimidoyl)naphthalen-2-yl]cyclopenta-1,4-dien-1-yl]-N,N-dimethylmethanamine
CID 87493127
1-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]ethanol;titanium(2+);dichloride
CID 87493937
N,N-dimethyl-1-[2-(1H-naphthalen-1-id-2-yl)cyclopenta-1,4-dien-1-yl]methanamine;2,2-dimethylpropan-1-ol;titanium;dihydrochloride
CID 87584560
(1S)-1-(2-ethoxynaphthalen-1-yl)ethanol
CID 95420561
1-[(1S)-1-hydroxyethyl]naphthalen-2-ol
CID 95420538
N,N-dimethyl-1-(2-phenylcyclopenta-1,4-dien-1-yl)methanamine;hydroperoxymethane;2-methylpropane;titanium(2+);dihydrochloride
CID 87491527
1-[2-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]ethanol
CID 141067090
N-[2-[2-[2-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]phenyl]propan-2-yl]aniline
CID 68544276
N,N-dimethyl-1-(2-triphenylsilylcyclopenta-1,4-dien-1-yl)methanamine
CID 137231043

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]ethanol;titanium(2+);dichloride?
The IUPAC name of 1-[2-[2-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]ethanol;titanium(2+);dichloride (CID 87493909) is 1-[2-[2-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]ethanol;titanium(2+);dichloride.
What is the SMILES notation for 1-[2-[2-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]ethanol;titanium(2+);dichloride?
The canonical SMILES for 1-[2-[2-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]ethanol;titanium(2+);dichloride is CC(O)c1c(C2=C(CN(C)C)C=CC2)ccc2ccccc12.[Cl-].[Cl-].[Ti+2].
What is the InChIKey of 1-[2-[2-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]ethanol;titanium(2+);dichloride?
The InChIKey is ASZFMFIYOVTUAW-UHFFFAOYSA-L. The full InChI is InChI=1S/C20H23NO.2ClH.Ti/c1-14(22)20-18-9-5-4-7-15(18)11-12-19(20)17-10-6-8-16(17)13-21(2)3;;;/h4-9,11-12,14,22H,10,13H2,1-3H3;2*1H;/q;;;+2/p-2.
What are the key properties of 1-[2-[2-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]ethanol;titanium(2+);dichloride?
1-[2-[2-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]ethanol;titanium(2+);dichloride has a molecular weight of 412.18 g/mol, XLogP of -1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]ethanol;titanium(2+);dichloride is sourced from PubChem (CID 87493909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).