N-methyl-1-(3-methylphenyl)-5-thiophen-3-ylpentan-3-amine

C17H23NS — CID 105147895

IUPACN-methyl-1-(3-methylphenyl)-5-thiophen-3-ylpentan-3-amine
SMILESCNC(CCc1ccsc1)CCc1cccc(C)c1
InChIInChI=1S/C17H23NS/c1-14-4-3-5-15(12-14)6-8-17(18-2)9-7-16-10-11-19-13-16/h3-5,10-13,17-18H,6-9H2,1-2H3
InChIKeyAQRWZRDOOZWXNT-UHFFFAOYSA-N
MW273.45 g/mol
LogP4.21
Rot. Bonds7

About N-methyl-1-(3-methylphenyl)-5-thiophen-3-ylpentan-3-amine

N-methyl-1-(3-methylphenyl)-5-thiophen-3-ylpentan-3-amine (PubChem CID 105147895) has the molecular formula C17H23NS and a molecular weight of 273.45 g/mol. Its IUPAC name is N-methyl-1-(3-methylphenyl)-5-thiophen-3-ylpentan-3-amine.

Molecular Properties

Compound NameN-methyl-1-(3-methylphenyl)-5-thiophen-3-ylpentan-3-amine
PubChem CID105147895
Molecular FormulaC17H23NS
Molecular Weight273.45 g/mol
Exact Mass273.16
IUPAC NameN-methyl-1-(3-methylphenyl)-5-thiophen-3-ylpentan-3-amine
SMILESCNC(CCc1ccsc1)CCc1cccc(C)c1
InChIInChI=1S/C17H23NS/c1-14-4-3-5-15(12-14)6-8-17(18-2)9-7-16-10-11-19-13-16/h3-5,10-13,17-18H,6-9H2,1-2H3
InChIKeyAQRWZRDOOZWXNT-UHFFFAOYSA-N
XLogP4.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.45
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylphenyl)-N-(2-methylpropyl)-4-thiophen-3-ylbutan-1-amine
CID 79431817
N-methyl-4-phenyl-1-thiophen-3-ylbutan-2-amine
CID 61078547
1-(4-ethylphenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 105101719
2-(3-methylphenyl)-4-thiophen-3-ylbutan-1-amine
CID 79417369
1-methoxy-N-methyl-4-thiophen-3-ylbutan-2-amine
CID 62319829
N,5-dimethyl-1-(3-methylphenyl)heptan-3-amine
CID 105138418
6-methoxy-N,6-dimethyl-1-(3-methylphenyl)heptan-3-amine
CID 103032202
[1-(3-methylphenoxy)-5-thiophen-3-ylpentan-3-yl]hydrazine
CID 105306880
N-methyl-1-methylsulfonyl-4-thiophen-3-ylbutan-2-amine
CID 115623839
1-(2-chlorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 63527888
1-(3-methylphenyl)-3-thiophen-3-ylpropan-2-ol
CID 62608058
1-(2-methoxyphenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 62367274

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methylphenyl)-5-thiophen-3-ylpentan-3-amine?
The IUPAC name of N-methyl-1-(3-methylphenyl)-5-thiophen-3-ylpentan-3-amine (CID 105147895) is N-methyl-1-(3-methylphenyl)-5-thiophen-3-ylpentan-3-amine.
What is the SMILES notation for N-methyl-1-(3-methylphenyl)-5-thiophen-3-ylpentan-3-amine?
The canonical SMILES for N-methyl-1-(3-methylphenyl)-5-thiophen-3-ylpentan-3-amine is CNC(CCc1ccsc1)CCc1cccc(C)c1.
What is the InChIKey of N-methyl-1-(3-methylphenyl)-5-thiophen-3-ylpentan-3-amine?
The InChIKey is AQRWZRDOOZWXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS/c1-14-4-3-5-15(12-14)6-8-17(18-2)9-7-16-10-11-19-13-16/h3-5,10-13,17-18H,6-9H2,1-2H3.
What are the key properties of N-methyl-1-(3-methylphenyl)-5-thiophen-3-ylpentan-3-amine?
N-methyl-1-(3-methylphenyl)-5-thiophen-3-ylpentan-3-amine has a molecular weight of 273.45 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methylphenyl)-5-thiophen-3-ylpentan-3-amine is sourced from PubChem (CID 105147895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).