3-N-(2,3-dihydro-1H-inden-2-yl)-5-methylbenzene-1,3-diamine

C16H18N2 — CID 114008155

IUPAC3-N-(2,3-dihydro-1H-inden-2-yl)-5-methylbenzene-1,3-diamine
SMILESCc1cc(N)cc(NC2Cc3ccccc3C2)c1
InChIInChI=1S/C16H18N2/c1-11-6-14(17)10-15(7-11)18-16-8-12-4-2-3-5-13(12)9-16/h2-7,10,16,18H,8-9,17H2,1H3
InChIKeyDJDVPKKCRHEHBF-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.16
Rot. Bonds2

About 3-N-(2,3-dihydro-1H-inden-2-yl)-5-methylbenzene-1,3-diamine

3-N-(2,3-dihydro-1H-inden-2-yl)-5-methylbenzene-1,3-diamine (PubChem CID 114008155) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-N-(2,3-dihydro-1H-inden-2-yl)-5-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(2,3-dihydro-1H-inden-2-yl)-5-methylbenzene-1,3-diamine
PubChem CID114008155
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name3-N-(2,3-dihydro-1H-inden-2-yl)-5-methylbenzene-1,3-diamine
SMILESCc1cc(N)cc(NC2Cc3ccccc3C2)c1
InChIInChI=1S/C16H18N2/c1-11-6-14(17)10-15(7-11)18-16-8-12-4-2-3-5-13(12)9-16/h2-7,10,16,18H,8-9,17H2,1H3
InChIKeyDJDVPKKCRHEHBF-UHFFFAOYSA-N
XLogP3.16
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-3-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,3-diamine
CID 112647668
3-N-cyclopropyl-5-methylbenzene-1,3-diamine
CID 112646925
3-N-cyclooctyl-5-methylbenzene-1,3-diamine
CID 112646949
N-(4-methylphenyl)-2,3-dihydro-1H-inden-2-amine
CID 15637824
3-(3-amino-5-methylanilino)cyclobutan-1-ol
CID 112647990
3-N-(1,1-dioxothian-4-yl)-5-methylbenzene-1,3-diamine
CID 112647228
6-bromo-N-(3,5-dimethylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627793
5-methyl-3-N-(3-methylcyclohexyl)benzene-1,3-diamine
CID 112647121
6-chloro-2-N-(2,3-dihydro-1H-inden-2-yl)pyridine-2,4-diamine
CID 104925398
N-(3,4-difluorophenyl)-2,3-dihydro-1H-inden-2-amine
CID 43512824
4-N-(2,3-dihydro-1H-inden-2-yl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 107844421
5-methyl-3-N-(2-propan-2-ylcyclohexyl)benzene-1,3-diamine
CID 112648163

Frequently Asked Questions

What is the IUPAC name of 3-N-(2,3-dihydro-1H-inden-2-yl)-5-methylbenzene-1,3-diamine?
The IUPAC name of 3-N-(2,3-dihydro-1H-inden-2-yl)-5-methylbenzene-1,3-diamine (CID 114008155) is 3-N-(2,3-dihydro-1H-inden-2-yl)-5-methylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-(2,3-dihydro-1H-inden-2-yl)-5-methylbenzene-1,3-diamine?
The canonical SMILES for 3-N-(2,3-dihydro-1H-inden-2-yl)-5-methylbenzene-1,3-diamine is Cc1cc(N)cc(NC2Cc3ccccc3C2)c1.
What is the InChIKey of 3-N-(2,3-dihydro-1H-inden-2-yl)-5-methylbenzene-1,3-diamine?
The InChIKey is DJDVPKKCRHEHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-11-6-14(17)10-15(7-11)18-16-8-12-4-2-3-5-13(12)9-16/h2-7,10,16,18H,8-9,17H2,1H3.
What are the key properties of 3-N-(2,3-dihydro-1H-inden-2-yl)-5-methylbenzene-1,3-diamine?
3-N-(2,3-dihydro-1H-inden-2-yl)-5-methylbenzene-1,3-diamine has a molecular weight of 238.33 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,3-dihydro-1H-inden-2-yl)-5-methylbenzene-1,3-diamine is sourced from PubChem (CID 114008155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).