2-[(2-ethoxyphenyl)methylsulfanyl]propan-1-amine

C12H19NOS — CID 66220330

IUPAC2-[(2-ethoxyphenyl)methylsulfanyl]propan-1-amine
SMILESCCOc1ccccc1CSC(C)CN
InChIInChI=1S/C12H19NOS/c1-3-14-12-7-5-4-6-11(12)9-15-10(2)8-13/h4-7,10H,3,8-9,13H2,1-2H3
InChIKeyNNVHKLSLUREEPH-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.67
Rot. Bonds6

About 2-[(2-ethoxyphenyl)methylsulfanyl]propan-1-amine

2-[(2-ethoxyphenyl)methylsulfanyl]propan-1-amine (PubChem CID 66220330) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-[(2-ethoxyphenyl)methylsulfanyl]propan-1-amine.

Molecular Properties

Compound Name2-[(2-ethoxyphenyl)methylsulfanyl]propan-1-amine
PubChem CID66220330
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name2-[(2-ethoxyphenyl)methylsulfanyl]propan-1-amine
SMILESCCOc1ccccc1CSC(C)CN
InChIInChI=1S/C12H19NOS/c1-3-14-12-7-5-4-6-11(12)9-15-10(2)8-13/h4-7,10H,3,8-9,13H2,1-2H3
InChIKeyNNVHKLSLUREEPH-UHFFFAOYSA-N
XLogP2.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-ethoxyphenyl)methylsulfanyl]butan-1-ol
CID 66138593
(2S)-3-(2-ethoxyphenyl)-2-methylpropan-1-amine
CID 42325849
1-ethoxy-2-(methylsulfanylmethyl)benzene
CID 130225008
(2R)-2-N-[(2-ethoxyphenyl)methyl]propane-1,2-diamine
CID 104868300
1-(butylsulfanylmethyl)-2-ethoxybenzene
CID 112781326
N-cyclopropyl-2-[(2-ethoxyphenyl)methylsulfanyl]propanamide
CID 134021364
2-[(2-ethoxyphenyl)methylsulfanyl]-4-fluoroaniline
CID 79143702
2-[(2-ethoxyphenyl)methylsulfanyl]-5-fluoroaniline
CID 43303935
5-(2-ethoxyphenyl)-4-methylsulfanylpentane-1,2-diamine
CID 91033920
4-chloro-2-[(2-ethoxyphenyl)methylsulfanyl]aniline
CID 79527895
(2-ethoxyphenyl)methanamine;undecan-1-amine
CID 158338223
1-(3-chlorobutyl)-2-ethoxybenzene
CID 64514219

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxyphenyl)methylsulfanyl]propan-1-amine?
The IUPAC name of 2-[(2-ethoxyphenyl)methylsulfanyl]propan-1-amine (CID 66220330) is 2-[(2-ethoxyphenyl)methylsulfanyl]propan-1-amine.
What is the SMILES notation for 2-[(2-ethoxyphenyl)methylsulfanyl]propan-1-amine?
The canonical SMILES for 2-[(2-ethoxyphenyl)methylsulfanyl]propan-1-amine is CCOc1ccccc1CSC(C)CN.
What is the InChIKey of 2-[(2-ethoxyphenyl)methylsulfanyl]propan-1-amine?
The InChIKey is NNVHKLSLUREEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-3-14-12-7-5-4-6-11(12)9-15-10(2)8-13/h4-7,10H,3,8-9,13H2,1-2H3.
What are the key properties of 2-[(2-ethoxyphenyl)methylsulfanyl]propan-1-amine?
2-[(2-ethoxyphenyl)methylsulfanyl]propan-1-amine has a molecular weight of 225.36 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxyphenyl)methylsulfanyl]propan-1-amine is sourced from PubChem (CID 66220330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).