N-methyl-1-(2-pentylsulfanylphenyl)ethanamine

C14H23NS — CID 107750679

IUPACN-methyl-1-(2-pentylsulfanylphenyl)ethanamine
SMILESCCCCCSc1ccccc1C(C)NC
InChIInChI=1S/C14H23NS/c1-4-5-8-11-16-14-10-7-6-9-13(14)12(2)15-3/h6-7,9-10,12,15H,4-5,8,11H2,1-3H3
InChIKeyGCYJQKNZSSOXNC-UHFFFAOYSA-N
MW237.41 g/mol
LogP4.25
Rot. Bonds7

About N-methyl-1-(2-pentylsulfanylphenyl)ethanamine

N-methyl-1-(2-pentylsulfanylphenyl)ethanamine (PubChem CID 107750679) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is N-methyl-1-(2-pentylsulfanylphenyl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(2-pentylsulfanylphenyl)ethanamine
PubChem CID107750679
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC NameN-methyl-1-(2-pentylsulfanylphenyl)ethanamine
SMILESCCCCCSc1ccccc1C(C)NC
InChIInChI=1S/C14H23NS/c1-4-5-8-11-16-14-10-7-6-9-13(14)12(2)15-3/h6-7,9-10,12,15H,4-5,8,11H2,1-3H3
InChIKeyGCYJQKNZSSOXNC-UHFFFAOYSA-N
XLogP4.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,2-bis(tricosylsulfanyl)benzene
CID 91011021
N-methyl-1-(3-pentylsulfanylphenyl)ethanamine
CID 64663527
1-methylsulfanyl-2-pentylsulfanylbenzene
CID 91655922
N-methyl-1-(3-nonylsulfanylphenyl)ethanamine
CID 64664208
2-tetracosylsulfanylphenol
CID 139712021
1-methyl-2-undecylsulfanylbenzene
CID 173415196
1-bromo-2-pentylsulfanylbenzene
CID 91658468
(1S)-1-(2-butylsulfanylphenyl)propan-1-ol
CID 103960769
1-[2-[(2-chlorophenyl)methylsulfanyl]phenyl]-N-methylethanamine
CID 103288708
1-(2-butylsulfanylphenyl)-N-propylpropan-1-amine
CID 112678605
1-(5-fluoro-2-propylsulfanylphenyl)-N-methylethanamine
CID 43286109
2-propyl-1,3-bis(tetradecylsulfanyl)benzene
CID 91139382

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-pentylsulfanylphenyl)ethanamine?
The IUPAC name of N-methyl-1-(2-pentylsulfanylphenyl)ethanamine (CID 107750679) is N-methyl-1-(2-pentylsulfanylphenyl)ethanamine.
What is the SMILES notation for N-methyl-1-(2-pentylsulfanylphenyl)ethanamine?
The canonical SMILES for N-methyl-1-(2-pentylsulfanylphenyl)ethanamine is CCCCCSc1ccccc1C(C)NC.
What is the InChIKey of N-methyl-1-(2-pentylsulfanylphenyl)ethanamine?
The InChIKey is GCYJQKNZSSOXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-4-5-8-11-16-14-10-7-6-9-13(14)12(2)15-3/h6-7,9-10,12,15H,4-5,8,11H2,1-3H3.
What are the key properties of N-methyl-1-(2-pentylsulfanylphenyl)ethanamine?
N-methyl-1-(2-pentylsulfanylphenyl)ethanamine has a molecular weight of 237.41 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-pentylsulfanylphenyl)ethanamine is sourced from PubChem (CID 107750679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).