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

C18H21N — CID 43512915

IUPACN-(3-propan-2-ylphenyl)-2,3-dihydro-1H-inden-2-amine
SMILESCC(C)c1cccc(NC2Cc3ccccc3C2)c1
InChIInChI=1S/C18H21N/c1-13(2)14-8-5-9-17(10-14)19-18-11-15-6-3-4-7-16(15)12-18/h3-10,13,18-19H,11-12H2,1-2H3
InChIKeyUNNIGAKIOVFCGO-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.39
Rot. Bonds3

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

N-(3-propan-2-ylphenyl)-2,3-dihydro-1H-inden-2-amine (PubChem CID 43512915) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is N-(3-propan-2-ylphenyl)-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-(3-propan-2-ylphenyl)-2,3-dihydro-1H-inden-2-amine
PubChem CID43512915
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC NameN-(3-propan-2-ylphenyl)-2,3-dihydro-1H-inden-2-amine
SMILESCC(C)c1cccc(NC2Cc3ccccc3C2)c1
InChIInChI=1S/C18H21N/c1-13(2)14-8-5-9-17(10-14)19-18-11-15-6-3-4-7-16(15)12-18/h3-10,13,18-19H,11-12H2,1-2H3
InChIKeyUNNIGAKIOVFCGO-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-ylphenyl)-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-(3-propan-2-ylphenyl)-2,3-dihydro-1H-inden-2-amine (CID 43512915) is N-(3-propan-2-ylphenyl)-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-(3-propan-2-ylphenyl)-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-(3-propan-2-ylphenyl)-2,3-dihydro-1H-inden-2-amine is CC(C)c1cccc(NC2Cc3ccccc3C2)c1.
What is the InChIKey of N-(3-propan-2-ylphenyl)-2,3-dihydro-1H-inden-2-amine?
The InChIKey is UNNIGAKIOVFCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-13(2)14-8-5-9-17(10-14)19-18-11-15-6-3-4-7-16(15)12-18/h3-10,13,18-19H,11-12H2,1-2H3.
What are the key properties of N-(3-propan-2-ylphenyl)-2,3-dihydro-1H-inden-2-amine?
N-(3-propan-2-ylphenyl)-2,3-dihydro-1H-inden-2-amine has a molecular weight of 251.37 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-ylphenyl)-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 43512915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).