N-methyl-1-[2-[(3-methylsulfonylphenoxy)methyl]phenyl]methanamine

C16H19NO3S — CID 62486836

IUPACN-methyl-1-[2-[(3-methylsulfonylphenoxy)methyl]phenyl]methanamine
SMILESCNCc1ccccc1COc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C16H19NO3S/c1-17-11-13-6-3-4-7-14(13)12-20-15-8-5-9-16(10-15)21(2,18)19/h3-10,17H,11-12H2,1-2H3
InChIKeyUNZMQWRTCNIGAX-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.39
Rot. Bonds6

About N-methyl-1-[2-[(3-methylsulfonylphenoxy)methyl]phenyl]methanamine

N-methyl-1-[2-[(3-methylsulfonylphenoxy)methyl]phenyl]methanamine (PubChem CID 62486836) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-methyl-1-[2-[(3-methylsulfonylphenoxy)methyl]phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-[(3-methylsulfonylphenoxy)methyl]phenyl]methanamine
PubChem CID62486836
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-methyl-1-[2-[(3-methylsulfonylphenoxy)methyl]phenyl]methanamine
SMILESCNCc1ccccc1COc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C16H19NO3S/c1-17-11-13-6-3-4-7-14(13)12-20-15-8-5-9-16(10-15)21(2,18)19/h3-10,17H,11-12H2,1-2H3
InChIKeyUNZMQWRTCNIGAX-UHFFFAOYSA-N
XLogP2.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-[2-[(3-methylsulfonylphenoxy)methyl]phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-[5-[(3-methylsulfonylphenoxy)methyl]furan-2-yl]methanamine
CID 62484331
1-[2-[(3-methoxyphenoxy)methyl]phenyl]-N-methylmethanamine
CID 62453866
1-[2-[(3-chlorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 62460997
[3-[(3-methylsulfonylphenoxy)methyl]-2-pyridinyl]methanamine
CID 62895899
1-[4-chloro-2-(3-methylsulfonylphenoxy)phenyl]-N-methylmethanamine
CID 114856483
1-[5-chloro-2-(3-methylsulfonylphenoxy)phenyl]-N-methylmethanamine
CID 114856490
1-(fluoromethoxy)-3-methylsulfonylbenzene
CID 68604841
4-[(3-methylsulfonylphenoxy)methyl]benzonitrile
CID 43612912
N-methyl-1-[2-(pyridin-3-yloxymethyl)phenyl]methanamine
CID 62451935
N-methyl-1-(3-methylsulfonylphenyl)methanamine
CID 58293040
2-methyl-3-(3-methylsulfonylphenoxy)propanenitrile
CID 43806985
[3-[(3-methylsulfonylphenoxy)methyl]phenyl]methanamine
CID 43806918

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-[(3-methylsulfonylphenoxy)methyl]phenyl]methanamine?
The IUPAC name of N-methyl-1-[2-[(3-methylsulfonylphenoxy)methyl]phenyl]methanamine (CID 62486836) is N-methyl-1-[2-[(3-methylsulfonylphenoxy)methyl]phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-[(3-methylsulfonylphenoxy)methyl]phenyl]methanamine?
The canonical SMILES for N-methyl-1-[2-[(3-methylsulfonylphenoxy)methyl]phenyl]methanamine is CNCc1ccccc1COc1cccc(S(C)(=O)=O)c1.
What is the InChIKey of N-methyl-1-[2-[(3-methylsulfonylphenoxy)methyl]phenyl]methanamine?
The InChIKey is UNZMQWRTCNIGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-17-11-13-6-3-4-7-14(13)12-20-15-8-5-9-16(10-15)21(2,18)19/h3-10,17H,11-12H2,1-2H3.
What are the key properties of N-methyl-1-[2-[(3-methylsulfonylphenoxy)methyl]phenyl]methanamine?
N-methyl-1-[2-[(3-methylsulfonylphenoxy)methyl]phenyl]methanamine has a molecular weight of 305.40 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-[(3-methylsulfonylphenoxy)methyl]phenyl]methanamine is sourced from PubChem (CID 62486836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).