N-[(2-aminophenyl)methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide

C18H20N2O — CID 43458378

IUPACN-[(2-aminophenyl)methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
SMILESCN(Cc1ccccc1N)C(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H20N2O/c1-20(12-16-5-2-3-8-17(16)19)18(21)15-10-9-13-6-4-7-14(13)11-15/h2-3,5,8-11H,4,6-7,12,19H2,1H3
InChIKeyPCDOHMVVJAVQDX-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.03
Rot. Bonds3

About N-[(2-aminophenyl)methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide

N-[(2-aminophenyl)methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 43458378) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID43458378
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-[(2-aminophenyl)methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
SMILESCN(Cc1ccccc1N)C(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H20N2O/c1-20(12-16-5-2-3-8-17(16)19)18(21)15-10-9-13-6-4-7-14(13)11-15/h2-3,5,8-11H,4,6-7,12,19H2,1H3
InChIKeyPCDOHMVVJAVQDX-UHFFFAOYSA-N
XLogP3.03
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-aminophenyl)methyl]-4-iodo-N-methylbenzamide
CID 43458354
N-[4-[2,3-dihydro-1H-indene-5-carbonyl(methyl)amino]butyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 86971881
N-(2-hydroxyethyl)-N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 60740767
N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100706328
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 115272627
3-amino-4-bromo-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 61094065
3-amino-N-[(2-chlorophenyl)methyl]-N,4-dimethylbenzamide
CID 60937650
N-(2-hydroxypropyl)-N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 62334420
3-amino-N-[(2-hydroxyphenyl)methyl]-N,4-dimethylbenzamide
CID 60963333
N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9011415
N-[(2-aminophenyl)methyl]-2,6-dichloro-N-methylbenzamide
CID 43458410
N-[(2-aminophenyl)methyl]-N,2,6-trimethylbenzamide
CID 107999875

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide (CID 43458378) is N-[(2-aminophenyl)methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide is CN(Cc1ccccc1N)C(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[(2-aminophenyl)methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is PCDOHMVVJAVQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-20(12-16-5-2-3-8-17(16)19)18(21)15-10-9-13-6-4-7-14(13)11-15/h2-3,5,8-11H,4,6-7,12,19H2,1H3.
What are the key properties of N-[(2-aminophenyl)methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide?
N-[(2-aminophenyl)methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 43458378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).