N-(3-methylphenyl)-2,3-dihydro-1H-inden-1-amine

C16H17N — CID 43189723

IUPACN-(3-methylphenyl)-2,3-dihydro-1H-inden-1-amine
SMILESCc1cccc(NC2CCc3ccccc32)c1
InChIInChI=1S/C16H17N/c1-12-5-4-7-14(11-12)17-16-10-9-13-6-2-3-8-15(13)16/h2-8,11,16-17H,9-10H2,1H3
InChIKeyZSKYXLVDESCDRM-UHFFFAOYSA-N
MW223.32 g/mol
LogP4.09
Rot. Bonds2

About N-(3-methylphenyl)-2,3-dihydro-1H-inden-1-amine

N-(3-methylphenyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 43189723) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(3-methylphenyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-(3-methylphenyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID43189723
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC NameN-(3-methylphenyl)-2,3-dihydro-1H-inden-1-amine
SMILESCc1cccc(NC2CCc3ccccc32)c1
InChIInChI=1S/C16H17N/c1-12-5-4-7-14(11-12)17-16-10-9-13-6-2-3-8-15(13)16/h2-8,11,16-17H,9-10H2,1H3
InChIKeyZSKYXLVDESCDRM-UHFFFAOYSA-N
XLogP4.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-(3-methylphenyl)-2,3-dihydro-1H-inden-1-amine (CID 43189723) is N-(3-methylphenyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-(3-methylphenyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-(3-methylphenyl)-2,3-dihydro-1H-inden-1-amine is Cc1cccc(NC2CCc3ccccc32)c1.
What is the InChIKey of N-(3-methylphenyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is ZSKYXLVDESCDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N/c1-12-5-4-7-14(11-12)17-16-10-9-13-6-2-3-8-15(13)16/h2-8,11,16-17H,9-10H2,1H3.
What are the key properties of N-(3-methylphenyl)-2,3-dihydro-1H-inden-1-amine?
N-(3-methylphenyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 223.32 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 43189723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).