5-chloro-N-(4-methoxy-2-methylphenyl)-2,3-dihydro-1H-inden-2-amine

C17H18ClNO — CID 115349039

IUPAC5-chloro-N-(4-methoxy-2-methylphenyl)-2,3-dihydro-1H-inden-2-amine
SMILESCOc1ccc(NC2Cc3ccc(Cl)cc3C2)c(C)c1
InChIInChI=1S/C17H18ClNO/c1-11-7-16(20-2)5-6-17(11)19-15-9-12-3-4-14(18)8-13(12)10-15/h3-8,15,19H,9-10H2,1-2H3
InChIKeyXQZOHDIEXFERNE-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.24
Rot. Bonds3

About 5-chloro-N-(4-methoxy-2-methylphenyl)-2,3-dihydro-1H-inden-2-amine

5-chloro-N-(4-methoxy-2-methylphenyl)-2,3-dihydro-1H-inden-2-amine (PubChem CID 115349039) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is 5-chloro-N-(4-methoxy-2-methylphenyl)-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name5-chloro-N-(4-methoxy-2-methylphenyl)-2,3-dihydro-1H-inden-2-amine
PubChem CID115349039
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name5-chloro-N-(4-methoxy-2-methylphenyl)-2,3-dihydro-1H-inden-2-amine
SMILESCOc1ccc(NC2Cc3ccc(Cl)cc3C2)c(C)c1
InChIInChI=1S/C17H18ClNO/c1-11-7-16(20-2)5-6-17(11)19-15-9-12-3-4-14(18)8-13(12)10-15/h3-8,15,19H,9-10H2,1-2H3
InChIKeyXQZOHDIEXFERNE-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-4-N,4-N,2-trimethylbenzene-1,4-diamine
CID 115348778
5-chloro-N-(5-chloro-2-methylphenyl)-2,3-dihydro-1H-inden-2-amine
CID 115348580
6-bromo-N-(4-methoxy-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627297
N-cyclopentyl-4-methoxy-2-methylaniline
CID 62867512
N-(4-chloro-2-methylphenyl)-4-methoxy-2-methylaniline
CID 139611066
N-(2-bromo-4-methylphenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine
CID 115348594
N-cyclohexyl-4-methoxy-2-methylaniline
CID 62867173
N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methoxy-2-methylaniline
CID 66391442
(2R)-5-methoxy-N-methyl-2,3-dihydro-1H-inden-2-amine
CID 86334379
N-(4-methoxy-2-methylphenyl)-1-oxothian-4-amine
CID 62871144
5-chloro-N-(2-chloro-6-methylphenyl)-2,3-dihydro-1H-inden-2-amine
CID 115349107
N-(4-tert-butylcyclohexyl)-4-methoxy-2-methylaniline
CID 63477895

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-methoxy-2-methylphenyl)-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of 5-chloro-N-(4-methoxy-2-methylphenyl)-2,3-dihydro-1H-inden-2-amine (CID 115349039) is 5-chloro-N-(4-methoxy-2-methylphenyl)-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for 5-chloro-N-(4-methoxy-2-methylphenyl)-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for 5-chloro-N-(4-methoxy-2-methylphenyl)-2,3-dihydro-1H-inden-2-amine is COc1ccc(NC2Cc3ccc(Cl)cc3C2)c(C)c1.
What is the InChIKey of 5-chloro-N-(4-methoxy-2-methylphenyl)-2,3-dihydro-1H-inden-2-amine?
The InChIKey is XQZOHDIEXFERNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-11-7-16(20-2)5-6-17(11)19-15-9-12-3-4-14(18)8-13(12)10-15/h3-8,15,19H,9-10H2,1-2H3.
What are the key properties of 5-chloro-N-(4-methoxy-2-methylphenyl)-2,3-dihydro-1H-inden-2-amine?
5-chloro-N-(4-methoxy-2-methylphenyl)-2,3-dihydro-1H-inden-2-amine has a molecular weight of 287.79 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-methoxy-2-methylphenyl)-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 115349039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).