1-(3,4-dimethoxyphenyl)-N-methyl-5-methylsulfonylpentan-2-amine

C15H25NO4S — CID 63192132

IUPAC1-(3,4-dimethoxyphenyl)-N-methyl-5-methylsulfonylpentan-2-amine
SMILESCNC(CCCS(C)(=O)=O)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H25NO4S/c1-16-13(6-5-9-21(4,17)18)10-12-7-8-14(19-2)15(11-12)20-3/h7-8,11,13,16H,5-6,9-10H2,1-4H3
InChIKeyBZJZIGWRMQCNRO-UHFFFAOYSA-N
MW315.44 g/mol
LogP1.66
Rot. Bonds9

About 1-(3,4-dimethoxyphenyl)-N-methyl-5-methylsulfonylpentan-2-amine

1-(3,4-dimethoxyphenyl)-N-methyl-5-methylsulfonylpentan-2-amine (PubChem CID 63192132) has the molecular formula C15H25NO4S and a molecular weight of 315.44 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-methyl-5-methylsulfonylpentan-2-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-methyl-5-methylsulfonylpentan-2-amine
PubChem CID63192132
Molecular FormulaC15H25NO4S
Molecular Weight315.44 g/mol
Exact Mass315.15
IUPAC Name1-(3,4-dimethoxyphenyl)-N-methyl-5-methylsulfonylpentan-2-amine
SMILESCNC(CCCS(C)(=O)=O)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H25NO4S/c1-16-13(6-5-9-21(4,17)18)10-12-7-8-14(19-2)15(11-12)20-3/h7-8,11,13,16H,5-6,9-10H2,1-4H3
InChIKeyBZJZIGWRMQCNRO-UHFFFAOYSA-N
XLogP1.66
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3,4-dimethoxyphenyl)-N-methyl-5-methylsulfonylpentan-2-amine 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

1-(3-bromophenyl)-N-methyl-5-methylsulfonylpentan-2-amine
CID 63191987
1-(3,4-dimethoxyphenyl)-N-methylhept-5-yn-2-amine
CID 104804912
N-methyl-5-methylsulfonyl-1-pyridin-4-ylpentan-2-amine
CID 63192370
1-(3,4-dimethoxyphenyl)-N,4,5,5-tetramethylhexan-2-amine
CID 63834170
1-(3,4-dimethoxyphenyl)-N,4-dimethylpent-4-en-2-amine
CID 79179584
1-(3,4-dimethoxyphenyl)-N-methyl-3-thiophen-2-ylpropan-2-amine
CID 62600246
6-(3,4-dimethoxyphenyl)-4-N-methylhexane-1,4-diamine
CID 139762530
1-(3,4-dimethoxyphenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824580
1-(3,4-dimethoxyphenyl)propan-2-yl methanesulfonate
CID 21192341
5-ethylsulfonyl-N-methyl-1-(4-methylphenyl)pentan-2-amine
CID 65095558
1-(3-ethyl-4-methoxyphenyl)-N-methylbutan-2-amine
CID 112513153
[1-(2-methoxyphenyl)-5-methylsulfonylpentan-2-yl]hydrazine
CID 105204960

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-methyl-5-methylsulfonylpentan-2-amine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-methyl-5-methylsulfonylpentan-2-amine (CID 63192132) is 1-(3,4-dimethoxyphenyl)-N-methyl-5-methylsulfonylpentan-2-amine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-methyl-5-methylsulfonylpentan-2-amine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-methyl-5-methylsulfonylpentan-2-amine is CNC(CCCS(C)(=O)=O)Cc1ccc(OC)c(OC)c1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-methyl-5-methylsulfonylpentan-2-amine?
The InChIKey is BZJZIGWRMQCNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4S/c1-16-13(6-5-9-21(4,17)18)10-12-7-8-14(19-2)15(11-12)20-3/h7-8,11,13,16H,5-6,9-10H2,1-4H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-methyl-5-methylsulfonylpentan-2-amine?
1-(3,4-dimethoxyphenyl)-N-methyl-5-methylsulfonylpentan-2-amine has a molecular weight of 315.44 g/mol, XLogP of 1.66, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-methyl-5-methylsulfonylpentan-2-amine is sourced from PubChem (CID 63192132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).