[3-(propylsulfanylmethyl)phenyl]methanamine

C11H17NS — CID 43530073

IUPAC[3-(propylsulfanylmethyl)phenyl]methanamine
SMILESCCCSCc1cccc(CN)c1
InChIInChI=1S/C11H17NS/c1-2-6-13-9-11-5-3-4-10(7-11)8-12/h3-5,7H,2,6,8-9,12H2,1H3
InChIKeyAYFXKAXAUFNFEZ-UHFFFAOYSA-N
MW195.33 g/mol
LogP2.79
Rot. Bonds5

About [3-(propylsulfanylmethyl)phenyl]methanamine

[3-(propylsulfanylmethyl)phenyl]methanamine (PubChem CID 43530073) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is [3-(propylsulfanylmethyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(propylsulfanylmethyl)phenyl]methanamine
PubChem CID43530073
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name[3-(propylsulfanylmethyl)phenyl]methanamine
SMILESCCCSCc1cccc(CN)c1
InChIInChI=1S/C11H17NS/c1-2-6-13-9-11-5-3-4-10(7-11)8-12/h3-5,7H,2,6,8-9,12H2,1H3
InChIKeyAYFXKAXAUFNFEZ-UHFFFAOYSA-N
XLogP2.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 52.79
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

ethane;1-(methylsulfanylmethyl)-3-(propylsulfanylmethyl)benzene
CID 145328307
1-bromo-3-(propylsulfanylmethyl)benzene
CID 60645412
[3-(methylsulfanylmethyl)phenyl]methanamine
CID 59652232
1,3-bis(octadecylsulfanylmethyl)benzene
CID 170908895
[4-(propylsulfanylmethyl)-2-pyridinyl]methanamine
CID 63881301
(3-propylsulfanylphenyl)methanamine
CID 66356001
[4-fluoro-3-(propylsulfanylmethyl)phenyl]methanamine
CID 43530076
[3-(aminomethyl)phenyl]methanamine;azane
CID 175725248
[3-(aminomethyl)phenyl]methanamine;ethane;molecular hydrogen
CID 145400663
[4-(heptylsulfanylmethyl)phenyl]methanamine
CID 66988842
[3-[2-[(3-methylphenyl)methylsulfanyl]ethoxy]phenyl]methanamine
CID 62770390
ethenone;(3-ethylphenyl)methanamine
CID 177135732

Frequently Asked Questions

What is the IUPAC name of [3-(propylsulfanylmethyl)phenyl]methanamine?
The IUPAC name of [3-(propylsulfanylmethyl)phenyl]methanamine (CID 43530073) is [3-(propylsulfanylmethyl)phenyl]methanamine.
What is the SMILES notation for [3-(propylsulfanylmethyl)phenyl]methanamine?
The canonical SMILES for [3-(propylsulfanylmethyl)phenyl]methanamine is CCCSCc1cccc(CN)c1.
What is the InChIKey of [3-(propylsulfanylmethyl)phenyl]methanamine?
The InChIKey is AYFXKAXAUFNFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-2-6-13-9-11-5-3-4-10(7-11)8-12/h3-5,7H,2,6,8-9,12H2,1H3.
What are the key properties of [3-(propylsulfanylmethyl)phenyl]methanamine?
[3-(propylsulfanylmethyl)phenyl]methanamine has a molecular weight of 195.33 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(propylsulfanylmethyl)phenyl]methanamine is sourced from PubChem (CID 43530073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).