5-chloro-N-[[4-(dimethylamino)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine

C18H21ClN2 — CID 78978931

IUPAC5-chloro-N-[[4-(dimethylamino)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCN(C)c1ccc(CNC2CCc3cc(Cl)ccc32)cc1
InChIInChI=1S/C18H21ClN2/c1-21(2)16-7-3-13(4-8-16)12-20-18-10-5-14-11-15(19)6-9-17(14)18/h3-4,6-9,11,18,20H,5,10,12H2,1-2H3
InChIKeyHSVOCITUKGYOJJ-UHFFFAOYSA-N
MW300.83 g/mol
LogP4.18
Rot. Bonds4

About 5-chloro-N-[[4-(dimethylamino)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine

5-chloro-N-[[4-(dimethylamino)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 78978931) has the molecular formula C18H21ClN2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 5-chloro-N-[[4-(dimethylamino)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-chloro-N-[[4-(dimethylamino)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID78978931
Molecular FormulaC18H21ClN2
Molecular Weight300.83 g/mol
Exact Mass300.14
IUPAC Name5-chloro-N-[[4-(dimethylamino)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCN(C)c1ccc(CNC2CCc3cc(Cl)ccc32)cc1
InChIInChI=1S/C18H21ClN2/c1-21(2)16-7-3-13(4-8-16)12-20-18-10-5-14-11-15(19)6-9-17(14)18/h3-4,6-9,11,18,20H,5,10,12H2,1-2H3
InChIKeyHSVOCITUKGYOJJ-UHFFFAOYSA-N
XLogP4.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[4-(dimethylamino)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-chloro-N-[[4-(dimethylamino)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine (CID 78978931) is 5-chloro-N-[[4-(dimethylamino)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-chloro-N-[[4-(dimethylamino)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-chloro-N-[[4-(dimethylamino)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine is CN(C)c1ccc(CNC2CCc3cc(Cl)ccc32)cc1.
What is the InChIKey of 5-chloro-N-[[4-(dimethylamino)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is HSVOCITUKGYOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2/c1-21(2)16-7-3-13(4-8-16)12-20-18-10-5-14-11-15(19)6-9-17(14)18/h3-4,6-9,11,18,20H,5,10,12H2,1-2H3.
What are the key properties of 5-chloro-N-[[4-(dimethylamino)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine?
5-chloro-N-[[4-(dimethylamino)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 300.83 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[4-(dimethylamino)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 78978931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).