1-(1-phenylethylsulfanyl)propan-2-amine

C11H17NS — CID 66219944

IUPAC1-(1-phenylethylsulfanyl)propan-2-amine
SMILESCC(N)CSC(C)c1ccccc1
InChIInChI=1S/C11H17NS/c1-9(12)8-13-10(2)11-6-4-3-5-7-11/h3-7,9-10H,8,12H2,1-2H3
InChIKeyOJPZFDZWEDVBKM-UHFFFAOYSA-N
MW195.33 g/mol
LogP2.83
Rot. Bonds4

About 1-(1-phenylethylsulfanyl)propan-2-amine

1-(1-phenylethylsulfanyl)propan-2-amine (PubChem CID 66219944) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is 1-(1-phenylethylsulfanyl)propan-2-amine.

Molecular Properties

Compound Name1-(1-phenylethylsulfanyl)propan-2-amine
PubChem CID66219944
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name1-(1-phenylethylsulfanyl)propan-2-amine
SMILESCC(N)CSC(C)c1ccccc1
InChIInChI=1S/C11H17NS/c1-9(12)8-13-10(2)11-6-4-3-5-7-11/h3-7,9-10H,8,12H2,1-2H3
InChIKeyOJPZFDZWEDVBKM-UHFFFAOYSA-N
XLogP2.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylpropylsulfanyl)ethylbenzene
CID 126656932
3-(1-phenylethylsulfanyl)propane-1,2-diol
CID 79682648
ethane;1-ethylsulfanylethylbenzene
CID 91185856
[(1R)-1-[[(1R)-1-phenylethyl]disulfanyl]ethyl]benzene
CID 12525253
4-[1-(2-methylpropylsulfanyl)ethyl]aniline
CID 61262045
2-butylsulfanyl-1-phenylethanamine
CID 63771735
1-(1-phenylethyltetrasulfanyl)ethylbenzene
CID 71330817
3-methyl-1-phenyl-2-propylsulfanylbutan-1-amine
CID 64615135
ethane;(1R)-1-phenylethanamine
CID 142977390
(2S,3R)-2-phenylheptan-3-amine
CID 11252501
(1R)-3-methyl-1-phenylbutan-1-amine
CID 2496575
3-(1-benzylsulfanylethyl)aniline
CID 61263874

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylethylsulfanyl)propan-2-amine?
The IUPAC name of 1-(1-phenylethylsulfanyl)propan-2-amine (CID 66219944) is 1-(1-phenylethylsulfanyl)propan-2-amine.
What is the SMILES notation for 1-(1-phenylethylsulfanyl)propan-2-amine?
The canonical SMILES for 1-(1-phenylethylsulfanyl)propan-2-amine is CC(N)CSC(C)c1ccccc1.
What is the InChIKey of 1-(1-phenylethylsulfanyl)propan-2-amine?
The InChIKey is OJPZFDZWEDVBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-9(12)8-13-10(2)11-6-4-3-5-7-11/h3-7,9-10H,8,12H2,1-2H3.
What are the key properties of 1-(1-phenylethylsulfanyl)propan-2-amine?
1-(1-phenylethylsulfanyl)propan-2-amine has a molecular weight of 195.33 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylethylsulfanyl)propan-2-amine is sourced from PubChem (CID 66219944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).