1-ethoxy-3-phenylsulfanylpropan-2-amine

C11H17NOS — CID 79573957

IUPAC1-ethoxy-3-phenylsulfanylpropan-2-amine
SMILESCCOCC(N)CSc1ccccc1
InChIInChI=1S/C11H17NOS/c1-2-13-8-10(12)9-14-11-6-4-3-5-7-11/h3-7,10H,2,8-9,12H2,1H3
InChIKeyYOIAQUIVARFFSW-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.14
Rot. Bonds6

About 1-ethoxy-3-phenylsulfanylpropan-2-amine

1-ethoxy-3-phenylsulfanylpropan-2-amine (PubChem CID 79573957) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 1-ethoxy-3-phenylsulfanylpropan-2-amine.

Molecular Properties

Compound Name1-ethoxy-3-phenylsulfanylpropan-2-amine
PubChem CID79573957
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name1-ethoxy-3-phenylsulfanylpropan-2-amine
SMILESCCOCC(N)CSc1ccccc1
InChIInChI=1S/C11H17NOS/c1-2-13-8-10(12)9-14-11-6-4-3-5-7-11/h3-7,10H,2,8-9,12H2,1H3
InChIKeyYOIAQUIVARFFSW-UHFFFAOYSA-N
XLogP2.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenylsulfanylbutan-2-amine
CID 24973194
4-methyl-1-phenylsulfanylpentan-2-amine
CID 65142507
1-N,1-N-diethyl-4-phenylsulfanylbutane-1,3-diamine
CID 77220691
N-methylmethanamine;4-phenylsulfanylbutane-1,3-diamine
CID 66723752
(3R)-1-N,1-N-dimethyl-4-phenylsulfanylbutane-1,3-diamine
CID 58080194
1-phenylsulfanylhex-4-yn-2-amine
CID 65141839
2-ethoxy-1-phenylsulfanylethanol
CID 71398646
2-ethoxy-1-[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633922
1-[3-(1-aminoethyl)phenyl]sulfanyl-3-ethoxypropan-2-ol
CID 64660519
2,2-dimethoxyethylsulfanylbenzene;ethanamine;hydrochloride
CID 174463399
4-(4-methoxyphenyl)-1-phenylsulfanylbutan-2-amine
CID 65444591
(3R)-1-N,1-N-bis(2-methoxyethyl)-4-phenylsulfanylbutane-1,3-diamine
CID 141202422

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-phenylsulfanylpropan-2-amine?
The IUPAC name of 1-ethoxy-3-phenylsulfanylpropan-2-amine (CID 79573957) is 1-ethoxy-3-phenylsulfanylpropan-2-amine.
What is the SMILES notation for 1-ethoxy-3-phenylsulfanylpropan-2-amine?
The canonical SMILES for 1-ethoxy-3-phenylsulfanylpropan-2-amine is CCOCC(N)CSc1ccccc1.
What is the InChIKey of 1-ethoxy-3-phenylsulfanylpropan-2-amine?
The InChIKey is YOIAQUIVARFFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-2-13-8-10(12)9-14-11-6-4-3-5-7-11/h3-7,10H,2,8-9,12H2,1H3.
What are the key properties of 1-ethoxy-3-phenylsulfanylpropan-2-amine?
1-ethoxy-3-phenylsulfanylpropan-2-amine has a molecular weight of 211.33 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-phenylsulfanylpropan-2-amine is sourced from PubChem (CID 79573957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).