4-(3,3a,4,5-tetrahydro-2H-benzo[g]indazol-3-yl)-N,N-dimethylaniline

C19H21N3 — CID 10517706

IUPAC4-(3,3a,4,5-tetrahydro-2H-benzo[g]indazol-3-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(C2NN=C3c4ccccc4CCC32)cc1
InChIInChI=1S/C19H21N3/c1-22(2)15-10-7-14(8-11-15)18-17-12-9-13-5-3-4-6-16(13)19(17)21-20-18/h3-8,10-11,17-18,20H,9,12H2,1-2H3
InChIKeyHFPUJQSYAGHZLL-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.36
Rot. Bonds2

About 4-(3,3a,4,5-tetrahydro-2H-benzo[g]indazol-3-yl)-N,N-dimethylaniline

4-(3,3a,4,5-tetrahydro-2H-benzo[g]indazol-3-yl)-N,N-dimethylaniline (PubChem CID 10517706) has the molecular formula C19H21N3 and a molecular weight of 291.40 g/mol. Its IUPAC name is 4-(3,3a,4,5-tetrahydro-2H-benzo[g]indazol-3-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(3,3a,4,5-tetrahydro-2H-benzo[g]indazol-3-yl)-N,N-dimethylaniline
PubChem CID10517706
Molecular FormulaC19H21N3
Molecular Weight291.40 g/mol
Exact Mass291.17
IUPAC Name4-(3,3a,4,5-tetrahydro-2H-benzo[g]indazol-3-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(C2NN=C3c4ccccc4CCC32)cc1
InChIInChI=1S/C19H21N3/c1-22(2)15-10-7-14(8-11-15)18-17-12-9-13-5-3-4-6-16(13)19(17)21-20-18/h3-8,10-11,17-18,20H,9,12H2,1-2H3
InChIKeyHFPUJQSYAGHZLL-UHFFFAOYSA-N
XLogP3.36
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-pyridin-4-yl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole
CID 152764541
3-(3,4,5-trimethoxyphenyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazole
CID 45028888
7-methoxy-3-(4-phenylphenyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazole
CID 134107340
4-(4-hydroxy-3-methylphenyl)-4,4a,5,6-tetrahydro-3H-benzo[h]quinazolin-2-one
CID 123958823
(3R,3aS)-3-(4-chlorophenyl)-2-methyl-3,3a,4,5-tetrahydrobenzo[g]indazole
CID 6925640
2-[5-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 135604582
4-[(Z)-2,3-dihydroinden-1-ylidenemethyl]-N,N-dimethylaniline
CID 6508665
4-(3,5-dibromo-4-methoxyphenyl)-4,4a,5,6-tetrahydro-3H-benzo[h]quinazolin-2-one
CID 123565422
2-[2-[4-(dimethylamino)phenyl]-2,3-dihydro-1,3,4-thiadiazol-5-yl]phenol
CID 4583365
N,N-dimethyl-3,4-dihydroisoquinolin-1-amine
CID 10130189
2-[4-(dimethylamino)phenyl]indene-1,3-dione
CID 622184
N,N-dimethyl-4-piperidin-4-ylaniline;dihydrochloride
CID 19390920

Frequently Asked Questions

What is the IUPAC name of 4-(3,3a,4,5-tetrahydro-2H-benzo[g]indazol-3-yl)-N,N-dimethylaniline?
The IUPAC name of 4-(3,3a,4,5-tetrahydro-2H-benzo[g]indazol-3-yl)-N,N-dimethylaniline (CID 10517706) is 4-(3,3a,4,5-tetrahydro-2H-benzo[g]indazol-3-yl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(3,3a,4,5-tetrahydro-2H-benzo[g]indazol-3-yl)-N,N-dimethylaniline?
The canonical SMILES for 4-(3,3a,4,5-tetrahydro-2H-benzo[g]indazol-3-yl)-N,N-dimethylaniline is CN(C)c1ccc(C2NN=C3c4ccccc4CCC32)cc1.
What is the InChIKey of 4-(3,3a,4,5-tetrahydro-2H-benzo[g]indazol-3-yl)-N,N-dimethylaniline?
The InChIKey is HFPUJQSYAGHZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3/c1-22(2)15-10-7-14(8-11-15)18-17-12-9-13-5-3-4-6-16(13)19(17)21-20-18/h3-8,10-11,17-18,20H,9,12H2,1-2H3.
What are the key properties of 4-(3,3a,4,5-tetrahydro-2H-benzo[g]indazol-3-yl)-N,N-dimethylaniline?
4-(3,3a,4,5-tetrahydro-2H-benzo[g]indazol-3-yl)-N,N-dimethylaniline has a molecular weight of 291.40 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3a,4,5-tetrahydro-2H-benzo[g]indazol-3-yl)-N,N-dimethylaniline is sourced from PubChem (CID 10517706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).