N-[1-[3-(2-methylpropylsulfanyl)phenyl]ethyl]propan-1-amine

C15H25NS — CID 64664023

IUPACN-[1-[3-(2-methylpropylsulfanyl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cccc(SCC(C)C)c1
InChIInChI=1S/C15H25NS/c1-5-9-16-13(4)14-7-6-8-15(10-14)17-11-12(2)3/h6-8,10,12-13,16H,5,9,11H2,1-4H3
InChIKeyWMPONWYESXSTEN-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.50
Rot. Bonds7

About N-[1-[3-(2-methylpropylsulfanyl)phenyl]ethyl]propan-1-amine

N-[1-[3-(2-methylpropylsulfanyl)phenyl]ethyl]propan-1-amine (PubChem CID 64664023) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is N-[1-[3-(2-methylpropylsulfanyl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[3-(2-methylpropylsulfanyl)phenyl]ethyl]propan-1-amine
PubChem CID64664023
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC NameN-[1-[3-(2-methylpropylsulfanyl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cccc(SCC(C)C)c1
InChIInChI=1S/C15H25NS/c1-5-9-16-13(4)14-7-6-8-15(10-14)17-11-12(2)3/h6-8,10,12-13,16H,5,9,11H2,1-4H3
InChIKeyWMPONWYESXSTEN-UHFFFAOYSA-N
XLogP4.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-prop-2-enylsulfanylphenyl)ethyl]propan-1-amine
CID 64665924
N-[1-(3-heptylsulfanylphenyl)ethyl]propan-1-amine
CID 64665512
N-[1-[3-(3,3-dimethylbutylsulfanyl)phenyl]ethyl]propan-1-amine
CID 64667020
N-[1-[3-[2-(3-methylbutoxy)ethylsulfanyl]phenyl]ethyl]propan-1-amine
CID 64664028
2-methyl-4-[3-[1-(propylamino)ethyl]phenyl]sulfanylbutan-2-ol
CID 79355109
N-[1-[3-(2-butoxyethylsulfanyl)phenyl]ethyl]propan-1-amine
CID 64663818
N-[1-[3-[(4-bromophenyl)methylsulfanyl]phenyl]ethyl]propan-1-amine
CID 64666128
N-[1-[3-[2-(oxolan-2-yl)ethylsulfanyl]phenyl]ethyl]propan-1-amine
CID 65165516
3-[1-(propylamino)ethyl]benzenethiol
CID 64666341
N-cyclopropyl-2-[3-[1-(propylamino)ethyl]phenyl]sulfanylacetamide
CID 64664243
N-[1-(3-propylphenyl)ethyl]propan-1-amine
CID 116544021
N-[1-[3-[3-(oxolan-2-yl)propylsulfanyl]phenyl]ethyl]propan-1-amine
CID 65165463

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2-methylpropylsulfanyl)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[3-(2-methylpropylsulfanyl)phenyl]ethyl]propan-1-amine (CID 64664023) is N-[1-[3-(2-methylpropylsulfanyl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[3-(2-methylpropylsulfanyl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[3-(2-methylpropylsulfanyl)phenyl]ethyl]propan-1-amine is CCCNC(C)c1cccc(SCC(C)C)c1.
What is the InChIKey of N-[1-[3-(2-methylpropylsulfanyl)phenyl]ethyl]propan-1-amine?
The InChIKey is WMPONWYESXSTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-5-9-16-13(4)14-7-6-8-15(10-14)17-11-12(2)3/h6-8,10,12-13,16H,5,9,11H2,1-4H3.
What are the key properties of N-[1-[3-(2-methylpropylsulfanyl)phenyl]ethyl]propan-1-amine?
N-[1-[3-(2-methylpropylsulfanyl)phenyl]ethyl]propan-1-amine has a molecular weight of 251.44 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(2-methylpropylsulfanyl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 64664023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).