N-methyl-2-[(3-methylphenyl)methylsulfanyl]pentan-3-amine

C14H23NS — CID 64634189

IUPACN-methyl-2-[(3-methylphenyl)methylsulfanyl]pentan-3-amine
SMILESCCC(NC)C(C)SCc1cccc(C)c1
InChIInChI=1S/C14H23NS/c1-5-14(15-4)12(3)16-10-13-8-6-7-11(2)9-13/h6-9,12,14-15H,5,10H2,1-4H3
InChIKeyHDPUUNVJEMZVIK-UHFFFAOYSA-N
MW237.41 g/mol
LogP3.61
Rot. Bonds6

About N-methyl-2-[(3-methylphenyl)methylsulfanyl]pentan-3-amine

N-methyl-2-[(3-methylphenyl)methylsulfanyl]pentan-3-amine (PubChem CID 64634189) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is N-methyl-2-[(3-methylphenyl)methylsulfanyl]pentan-3-amine.

Molecular Properties

Compound NameN-methyl-2-[(3-methylphenyl)methylsulfanyl]pentan-3-amine
PubChem CID64634189
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC NameN-methyl-2-[(3-methylphenyl)methylsulfanyl]pentan-3-amine
SMILESCCC(NC)C(C)SCc1cccc(C)c1
InChIInChI=1S/C14H23NS/c1-5-14(15-4)12(3)16-10-13-8-6-7-11(2)9-13/h6-9,12,14-15H,5,10H2,1-4H3
InChIKeyHDPUUNVJEMZVIK-UHFFFAOYSA-N
XLogP3.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(3-methylphenyl)methyl]pentan-3-amine
CID 43768749
N-methyl-2-[(3-methylphenyl)methylsulfonyl]pentan-3-amine
CID 64675441
N-methyl-2-[(3-methylphenyl)methylsulfinyl]pentan-3-amine
CID 64658400
methyl 2-[(3-methylphenyl)methylsulfanyl]propanoate
CID 60722456
N-methyl-1-[4-[(3-methylphenyl)methylsulfanyl]phenyl]ethanamine
CID 55112738
1,1-difluoro-N-methyl-3-(3-methylphenyl)propan-2-amine
CID 103759785
N'-hydroxy-2-[(3-methylphenyl)methylsulfanyl]butanimidamide
CID 76948913
3-methyl-2-[(3-methylphenyl)methylsulfanyl]butanoic acid
CID 62771604
N-methyl-1-(3-methylphenyl)-3-methylsulfonylbutan-2-amine
CID 113422160
N,3-dimethyl-1-(3-methylphenyl)sulfanylpentan-2-amine
CID 79446723
1-(4-ethylphenyl)-N-methyl-2-[(3-methylphenyl)methylsulfanyl]ethanamine
CID 64634181
N-methyl-1-(3-methylphenyl)-3-propylsulfanylpropan-2-amine
CID 65129089

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(3-methylphenyl)methylsulfanyl]pentan-3-amine?
The IUPAC name of N-methyl-2-[(3-methylphenyl)methylsulfanyl]pentan-3-amine (CID 64634189) is N-methyl-2-[(3-methylphenyl)methylsulfanyl]pentan-3-amine.
What is the SMILES notation for N-methyl-2-[(3-methylphenyl)methylsulfanyl]pentan-3-amine?
The canonical SMILES for N-methyl-2-[(3-methylphenyl)methylsulfanyl]pentan-3-amine is CCC(NC)C(C)SCc1cccc(C)c1.
What is the InChIKey of N-methyl-2-[(3-methylphenyl)methylsulfanyl]pentan-3-amine?
The InChIKey is HDPUUNVJEMZVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-5-14(15-4)12(3)16-10-13-8-6-7-11(2)9-13/h6-9,12,14-15H,5,10H2,1-4H3.
What are the key properties of N-methyl-2-[(3-methylphenyl)methylsulfanyl]pentan-3-amine?
N-methyl-2-[(3-methylphenyl)methylsulfanyl]pentan-3-amine has a molecular weight of 237.41 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(3-methylphenyl)methylsulfanyl]pentan-3-amine is sourced from PubChem (CID 64634189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).