3-(1H-inden-2-yl)-N,N-dimethylaniline

C17H17N — CID 86066545

IUPAC3-(1H-inden-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1cccc(C2=Cc3ccccc3C2)c1
InChIInChI=1S/C17H17N/c1-18(2)17-9-5-8-15(12-17)16-10-13-6-3-4-7-14(13)11-16/h3-10,12H,11H2,1-2H3
InChIKeyKTNICAYVCKZBMH-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.85
Rot. Bonds2

About 3-(1H-inden-2-yl)-N,N-dimethylaniline

3-(1H-inden-2-yl)-N,N-dimethylaniline (PubChem CID 86066545) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(1H-inden-2-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name3-(1H-inden-2-yl)-N,N-dimethylaniline
PubChem CID86066545
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC Name3-(1H-inden-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1cccc(C2=Cc3ccccc3C2)c1
InChIInChI=1S/C17H17N/c1-18(2)17-9-5-8-15(12-17)16-10-13-6-3-4-7-14(13)11-16/h3-10,12H,11H2,1-2H3
InChIKeyKTNICAYVCKZBMH-UHFFFAOYSA-N
XLogP3.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-[3-(1H-inden-2-yl)phenyl]-1H-indene
CID 159714267
2-(4-phenylphenyl)-1H-indene;zirconium
CID 174373323
2-(3,5-ditert-butylphenyl)-1H-indene;dichlorozirconium
CID 174234442
9-(3-bromophenyl)tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaene
CID 145377281
N,N-dimethyl-4-(4-methylidene-1H-naphthalen-2-yl)aniline
CID 142893726
2,5-diphenyl-1H-indene;zirconium(2+);dichloride
CID 175286821
N,N-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)aniline;hydrochloride
CID 82027061
N,N-dimethyl-3-(4-phenoxyphenyl)aniline
CID 57177626
2-[4-(trifluoromethyl)phenyl]-1H-indene;zirconium
CID 174374188
ethane;1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine
CID 90858464
3-(2-fluorophenyl)-N,N-dimethylaniline
CID 173224461
[4-[3-(dimethylamino)phenyl]phenyl]methanol
CID 142804587

Frequently Asked Questions

What is the IUPAC name of 3-(1H-inden-2-yl)-N,N-dimethylaniline?
The IUPAC name of 3-(1H-inden-2-yl)-N,N-dimethylaniline (CID 86066545) is 3-(1H-inden-2-yl)-N,N-dimethylaniline.
What is the SMILES notation for 3-(1H-inden-2-yl)-N,N-dimethylaniline?
The canonical SMILES for 3-(1H-inden-2-yl)-N,N-dimethylaniline is CN(C)c1cccc(C2=Cc3ccccc3C2)c1.
What is the InChIKey of 3-(1H-inden-2-yl)-N,N-dimethylaniline?
The InChIKey is KTNICAYVCKZBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N/c1-18(2)17-9-5-8-15(12-17)16-10-13-6-3-4-7-14(13)11-16/h3-10,12H,11H2,1-2H3.
What are the key properties of 3-(1H-inden-2-yl)-N,N-dimethylaniline?
3-(1H-inden-2-yl)-N,N-dimethylaniline has a molecular weight of 235.33 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-inden-2-yl)-N,N-dimethylaniline is sourced from PubChem (CID 86066545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).