N-methyl-N-[(4-methylsulfonylphenyl)methyl]-2,3-dihydro-1H-inden-2-amine

C18H21NO2S — CID 50961757

IUPACN-methyl-N-[(4-methylsulfonylphenyl)methyl]-2,3-dihydro-1H-inden-2-amine
SMILESCN(Cc1ccc(S(C)(=O)=O)cc1)C1Cc2ccccc2C1
InChIInChI=1S/C18H21NO2S/c1-19(17-11-15-5-3-4-6-16(15)12-17)13-14-7-9-18(10-8-14)22(2,20)21/h3-10,17H,11-13H2,1-2H3
InChIKeyREJRGZKDHALNGP-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.69
Rot. Bonds4

About N-methyl-N-[(4-methylsulfonylphenyl)methyl]-2,3-dihydro-1H-inden-2-amine

N-methyl-N-[(4-methylsulfonylphenyl)methyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 50961757) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-methyl-N-[(4-methylsulfonylphenyl)methyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-methyl-N-[(4-methylsulfonylphenyl)methyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID50961757
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC NameN-methyl-N-[(4-methylsulfonylphenyl)methyl]-2,3-dihydro-1H-inden-2-amine
SMILESCN(Cc1ccc(S(C)(=O)=O)cc1)C1Cc2ccccc2C1
InChIInChI=1S/C18H21NO2S/c1-19(17-11-15-5-3-4-6-16(15)12-17)13-14-7-9-18(10-8-14)22(2,20)21/h3-10,17H,11-13H2,1-2H3
InChIKeyREJRGZKDHALNGP-UHFFFAOYSA-N
XLogP2.69
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanesulfonamide
CID 21253375
N-(chloromethyl)-N-methyl-1-(4-methylsulfonylphenyl)methanamine
CID 115263223
3-[4-[[2,3-dihydro-1H-inden-2-yl(methyl)amino]methyl]phenyl]prop-2-yn-1-ol
CID 56875011
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 134795524
2-N-[(4-aminophenyl)methyl]-2-N-methyl-2,3-dihydro-1H-indene-2,5-diamine
CID 15023223
N'-(2,3-dihydro-1H-inden-2-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 784635
1-N-benzyl-1-N-methyl-2-N-(4-methylsulfonylphenyl)propane-1,2-diamine
CID 133452642
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-4-methylsulfonylbenzenesulfonamide
CID 31534668
1-ethyl-4-methylsulfonylbenzene
CID 143759723
N-cyclopropyl-N-[(4-methylphenyl)methyl]-4-methylsulfonylbenzamide
CID 32589766
(2R)-N-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51932993
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methylsulfonylaniline
CID 60816642

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methylsulfonylphenyl)methyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-methyl-N-[(4-methylsulfonylphenyl)methyl]-2,3-dihydro-1H-inden-2-amine (CID 50961757) is N-methyl-N-[(4-methylsulfonylphenyl)methyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-methyl-N-[(4-methylsulfonylphenyl)methyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-methyl-N-[(4-methylsulfonylphenyl)methyl]-2,3-dihydro-1H-inden-2-amine is CN(Cc1ccc(S(C)(=O)=O)cc1)C1Cc2ccccc2C1.
What is the InChIKey of N-methyl-N-[(4-methylsulfonylphenyl)methyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is REJRGZKDHALNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-19(17-11-15-5-3-4-6-16(15)12-17)13-14-7-9-18(10-8-14)22(2,20)21/h3-10,17H,11-13H2,1-2H3.
What are the key properties of N-methyl-N-[(4-methylsulfonylphenyl)methyl]-2,3-dihydro-1H-inden-2-amine?
N-methyl-N-[(4-methylsulfonylphenyl)methyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 315.44 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methylsulfonylphenyl)methyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 50961757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).