N-methyl-2-[(3-methylphenyl)methyl]-5-methylsulfonylpentan-1-amine

C15H25NO2S — CID 63195920

IUPACN-methyl-2-[(3-methylphenyl)methyl]-5-methylsulfonylpentan-1-amine
SMILESCNCC(CCCS(C)(=O)=O)Cc1cccc(C)c1
InChIInChI=1S/C15H25NO2S/c1-13-6-4-7-14(10-13)11-15(12-16-2)8-5-9-19(3,17)18/h4,6-7,10,15-16H,5,8-9,11-12H2,1-3H3
InChIKeyDCRFVOOQJBALBL-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.20
Rot. Bonds8

About N-methyl-2-[(3-methylphenyl)methyl]-5-methylsulfonylpentan-1-amine

N-methyl-2-[(3-methylphenyl)methyl]-5-methylsulfonylpentan-1-amine (PubChem CID 63195920) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is N-methyl-2-[(3-methylphenyl)methyl]-5-methylsulfonylpentan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[(3-methylphenyl)methyl]-5-methylsulfonylpentan-1-amine
PubChem CID63195920
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC NameN-methyl-2-[(3-methylphenyl)methyl]-5-methylsulfonylpentan-1-amine
SMILESCNCC(CCCS(C)(=O)=O)Cc1cccc(C)c1
InChIInChI=1S/C15H25NO2S/c1-13-6-4-7-14(10-13)11-15(12-16-2)8-5-9-19(3,17)18/h4,6-7,10,15-16H,5,8-9,11-12H2,1-3H3
InChIKeyDCRFVOOQJBALBL-UHFFFAOYSA-N
XLogP2.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethylsulfonyl-2-[(3-fluorophenyl)methyl]-N-methylpentan-1-amine
CID 65097069
2-[(3-bromophenyl)methyl]-N-ethyl-5-methylsulfonylpentan-1-amine
CID 63196166
4-ethoxy-N-methyl-2-[(3-methylphenyl)methyl]butan-1-amine
CID 62514359
N-ethyl-4-ethylsulfonyl-2-[(3-methylphenyl)methyl]butan-1-amine
CID 62516449
2-[(3,4-dichlorophenyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 63522087
2-[(3,5-difluorophenyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 105408067
N-methyl-2-[(3-methylphenyl)methyl]-3-thiophen-2-ylpropan-1-amine
CID 55082726
1-[2-(chloromethyl)-5-methylsulfonylpentyl]-3-methoxybenzene
CID 66048149
1-[2-(bromomethyl)-4-ethylsulfonylbutyl]-3-methylbenzene
CID 66042304
4-ethylsulfonyl-2-[(3-methylphenyl)methyl]butan-1-ol
CID 66060565
2-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 114348807
1-(3-bromophenyl)-N-methyl-5-methylsulfonylpentan-2-amine
CID 63191987

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(3-methylphenyl)methyl]-5-methylsulfonylpentan-1-amine?
The IUPAC name of N-methyl-2-[(3-methylphenyl)methyl]-5-methylsulfonylpentan-1-amine (CID 63195920) is N-methyl-2-[(3-methylphenyl)methyl]-5-methylsulfonylpentan-1-amine.
What is the SMILES notation for N-methyl-2-[(3-methylphenyl)methyl]-5-methylsulfonylpentan-1-amine?
The canonical SMILES for N-methyl-2-[(3-methylphenyl)methyl]-5-methylsulfonylpentan-1-amine is CNCC(CCCS(C)(=O)=O)Cc1cccc(C)c1.
What is the InChIKey of N-methyl-2-[(3-methylphenyl)methyl]-5-methylsulfonylpentan-1-amine?
The InChIKey is DCRFVOOQJBALBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-13-6-4-7-14(10-13)11-15(12-16-2)8-5-9-19(3,17)18/h4,6-7,10,15-16H,5,8-9,11-12H2,1-3H3.
What are the key properties of N-methyl-2-[(3-methylphenyl)methyl]-5-methylsulfonylpentan-1-amine?
N-methyl-2-[(3-methylphenyl)methyl]-5-methylsulfonylpentan-1-amine has a molecular weight of 283.44 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(3-methylphenyl)methyl]-5-methylsulfonylpentan-1-amine is sourced from PubChem (CID 63195920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).