N-[(3-propylsulfanylphenyl)methyl]ethanamine

C12H19NS — CID 66347645

IUPACN-[(3-propylsulfanylphenyl)methyl]ethanamine
SMILESCCCSc1cccc(CNCC)c1
InChIInChI=1S/C12H19NS/c1-3-8-14-12-7-5-6-11(9-12)10-13-4-2/h5-7,9,13H,3-4,8,10H2,1-2H3
InChIKeyFMTQCGOXIVYPKN-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.30
Rot. Bonds6

About N-[(3-propylsulfanylphenyl)methyl]ethanamine

N-[(3-propylsulfanylphenyl)methyl]ethanamine (PubChem CID 66347645) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is N-[(3-propylsulfanylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-propylsulfanylphenyl)methyl]ethanamine
PubChem CID66347645
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC NameN-[(3-propylsulfanylphenyl)methyl]ethanamine
SMILESCCCSc1cccc(CNCC)c1
InChIInChI=1S/C12H19NS/c1-3-8-14-12-7-5-6-11(9-12)10-13-4-2/h5-7,9,13H,3-4,8,10H2,1-2H3
InChIKeyFMTQCGOXIVYPKN-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-pentylsulfanylphenyl)methyl]ethanamine
CID 66348037
2-[3-(ethylaminomethyl)phenyl]sulfanyl-N,N-dimethylethanamine
CID 66349608
5-[3-(ethylaminomethyl)phenyl]sulfanylpentan-1-ol
CID 66348613
N-[[3-[2-[(2-methylpropan-2-yl)oxy]ethylsulfanyl]phenyl]methyl]ethanamine
CID 112591913
N-[(3-pent-3-ynylsulfanylphenyl)methyl]ethanamine
CID 104811494
2-[3-(ethylaminomethyl)phenyl]sulfanylacetonitrile
CID 66347852
N-[[3-(2-methylpentylsulfanyl)phenyl]methyl]ethanamine
CID 66347067
4-[3-(ethylaminomethyl)phenyl]sulfanyl-N-methylbutanamide
CID 66349601
4-[3-(ethylaminomethyl)phenyl]sulfanyl-2,2-dimethylbutanenitrile
CID 66347460
N-[[3-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]methyl]ethanamine
CID 66348810
4-[3-(propylaminomethyl)phenyl]sulfanylbutan-1-ol
CID 66347276
(3-propylsulfanylphenyl)methanamine
CID 66356001

Frequently Asked Questions

What is the IUPAC name of N-[(3-propylsulfanylphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-propylsulfanylphenyl)methyl]ethanamine (CID 66347645) is N-[(3-propylsulfanylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-propylsulfanylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-propylsulfanylphenyl)methyl]ethanamine is CCCSc1cccc(CNCC)c1.
What is the InChIKey of N-[(3-propylsulfanylphenyl)methyl]ethanamine?
The InChIKey is FMTQCGOXIVYPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-3-8-14-12-7-5-6-11(9-12)10-13-4-2/h5-7,9,13H,3-4,8,10H2,1-2H3.
What are the key properties of N-[(3-propylsulfanylphenyl)methyl]ethanamine?
N-[(3-propylsulfanylphenyl)methyl]ethanamine has a molecular weight of 209.36 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propylsulfanylphenyl)methyl]ethanamine is sourced from PubChem (CID 66347645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).