3-(2,3-dihydro-1H-inden-5-yl)-5-methylaniline

C16H17N — CID 107579783

IUPAC3-(2,3-dihydro-1H-inden-5-yl)-5-methylaniline
SMILESCc1cc(N)cc(-c2ccc3c(c2)CCC3)c1
InChIInChI=1S/C16H17N/c1-11-7-15(10-16(17)8-11)14-6-5-12-3-2-4-13(12)9-14/h5-10H,2-4,17H2,1H3
InChIKeyCFYJYBPNEHENOG-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.73
Rot. Bonds1

About 3-(2,3-dihydro-1H-inden-5-yl)-5-methylaniline

3-(2,3-dihydro-1H-inden-5-yl)-5-methylaniline (PubChem CID 107579783) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-yl)-5-methylaniline.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-yl)-5-methylaniline
PubChem CID107579783
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name3-(2,3-dihydro-1H-inden-5-yl)-5-methylaniline
SMILESCc1cc(N)cc(-c2ccc3c(c2)CCC3)c1
InChIInChI=1S/C16H17N/c1-11-7-15(10-16(17)8-11)14-6-5-12-3-2-4-13(12)9-14/h5-10H,2-4,17H2,1H3
InChIKeyCFYJYBPNEHENOG-UHFFFAOYSA-N
XLogP3.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(4-methylphenyl)-2,3-dihydro-1H-indene
CID 59217485
4-(2,3-dihydro-1H-inden-5-yl)-2-methylaniline
CID 54912598
3-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)aniline
CID 112648458
4-(2,3-dihydro-1H-inden-5-yl)-2-methylphenol
CID 166178430
5-(4-fluorophenyl)-2,3-dihydro-1H-indene
CID 141092237
4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-amine
CID 8878238
5-(4-methoxyphenyl)-2,3-dihydro-1H-indene
CID 174495495
4-(2,3-dihydro-1H-inden-5-yl)-2,6-dimethylpyrimidin-5-amine
CID 82388247
4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1H-imidazol-2-amine
CID 82471020
2,6,11-tris(3,5-dimethylphenyl)triphenylene
CID 58219987
5-(2-chloro-6-methylphenyl)-2,3-dihydro-1H-indene
CID 66253158
4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-2-amine
CID 82028256

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-yl)-5-methylaniline?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-yl)-5-methylaniline (CID 107579783) is 3-(2,3-dihydro-1H-inden-5-yl)-5-methylaniline.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-yl)-5-methylaniline?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-yl)-5-methylaniline is Cc1cc(N)cc(-c2ccc3c(c2)CCC3)c1.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-yl)-5-methylaniline?
The InChIKey is CFYJYBPNEHENOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N/c1-11-7-15(10-16(17)8-11)14-6-5-12-3-2-4-13(12)9-14/h5-10H,2-4,17H2,1H3.
What are the key properties of 3-(2,3-dihydro-1H-inden-5-yl)-5-methylaniline?
3-(2,3-dihydro-1H-inden-5-yl)-5-methylaniline has a molecular weight of 223.32 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-yl)-5-methylaniline is sourced from PubChem (CID 107579783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).