N-[(4-methylsulfonylphenyl)-phenylmethyl]ethanamine

C16H19NO2S — CID 43489121

IUPACN-[(4-methylsulfonylphenyl)-phenylmethyl]ethanamine
SMILESCCNC(c1ccccc1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H19NO2S/c1-3-17-16(13-7-5-4-6-8-13)14-9-11-15(12-10-14)20(2,18)19/h4-12,16-17H,3H2,1-2H3
InChIKeyYNBMUIPDZHVQGX-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.79
Rot. Bonds5

About N-[(4-methylsulfonylphenyl)-phenylmethyl]ethanamine

N-[(4-methylsulfonylphenyl)-phenylmethyl]ethanamine (PubChem CID 43489121) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[(4-methylsulfonylphenyl)-phenylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methylsulfonylphenyl)-phenylmethyl]ethanamine
PubChem CID43489121
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC NameN-[(4-methylsulfonylphenyl)-phenylmethyl]ethanamine
SMILESCCNC(c1ccccc1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H19NO2S/c1-3-17-16(13-7-5-4-6-8-13)14-9-11-15(12-10-14)20(2,18)19/h4-12,16-17H,3H2,1-2H3
InChIKeyYNBMUIPDZHVQGX-UHFFFAOYSA-N
XLogP2.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)-(4-methylsulfonylphenyl)methyl]ethanamine
CID 43488878
N-[(4-chlorophenyl)-(4-methylsulfonylphenyl)methyl]ethanamine
CID 43489004
N-benzhydrylethanamine;ethane
CID 142974710
[(4-methylsulfonylphenyl)-phenylmethyl]hydrazine
CID 105282883
N-[(4-methylphenyl)-phenylmethyl]ethanamine
CID 43389847
2-(4-methylsulfonylphenyl)-2-phenylethanol
CID 67638441
N-[(4-tert-butylphenyl)-phenylmethyl]ethanamine
CID 43489132
N-[(1-methylimidazol-2-yl)-(4-methylsulfonylphenyl)methyl]ethanamine
CID 61315754
N-[(3-fluoro-4-pyridinyl)-(4-methylsulfonylphenyl)methyl]ethanamine
CID 105038426
1-(4-methylsulfonylphenyl)-2-(1-phenylethylamino)ethanol
CID 110896898
N-[(3,5-difluorophenyl)-phenylmethyl]ethanamine
CID 43489099
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]ethanesulfonamide
CID 94211223

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylsulfonylphenyl)-phenylmethyl]ethanamine?
The IUPAC name of N-[(4-methylsulfonylphenyl)-phenylmethyl]ethanamine (CID 43489121) is N-[(4-methylsulfonylphenyl)-phenylmethyl]ethanamine.
What is the SMILES notation for N-[(4-methylsulfonylphenyl)-phenylmethyl]ethanamine?
The canonical SMILES for N-[(4-methylsulfonylphenyl)-phenylmethyl]ethanamine is CCNC(c1ccccc1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-[(4-methylsulfonylphenyl)-phenylmethyl]ethanamine?
The InChIKey is YNBMUIPDZHVQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-3-17-16(13-7-5-4-6-8-13)14-9-11-15(12-10-14)20(2,18)19/h4-12,16-17H,3H2,1-2H3.
What are the key properties of N-[(4-methylsulfonylphenyl)-phenylmethyl]ethanamine?
N-[(4-methylsulfonylphenyl)-phenylmethyl]ethanamine has a molecular weight of 289.40 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylsulfonylphenyl)-phenylmethyl]ethanamine is sourced from PubChem (CID 43489121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).