1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanamine

C12H17NOS — CID 114521659

IUPAC1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanamine
SMILESCSCC(N)c1cccc(OC2CC2)c1
InChIInChI=1S/C12H17NOS/c1-15-8-12(13)9-3-2-4-11(7-9)14-10-5-6-10/h2-4,7,10,12H,5-6,8,13H2,1H3
InChIKeyRRWXIKQUHXKVCQ-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.59
Rot. Bonds5

About 1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanamine

1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanamine (PubChem CID 114521659) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanamine.

Molecular Properties

Compound Name1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanamine
PubChem CID114521659
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanamine
SMILESCSCC(N)c1cccc(OC2CC2)c1
InChIInChI=1S/C12H17NOS/c1-15-8-12(13)9-3-2-4-11(7-9)14-10-5-6-10/h2-4,7,10,12H,5-6,8,13H2,1H3
InChIKeyRRWXIKQUHXKVCQ-UHFFFAOYSA-N
XLogP2.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-2-(3-cyclopropyloxyphenyl)ethanol
CID 129319999
(1R)-1-(3-cyclopentyloxyphenyl)ethane-1,2-diamine
CID 66517730
[1-(3-cyclopropyloxyphenyl)-3-methylsulfanylpropyl]hydrazine
CID 105341132
1-(3-cyclopropyloxyphenyl)-3-phenylpropan-1-amine
CID 114521595
1-(3-cyclopropyloxyphenyl)-2-(3-ethoxycyclobutyl)ethanamine
CID 103169721
1-(3-cyclopropyloxyphenyl)-2,2-dimethylbutan-1-amine
CID 105051843
2-cyclopropyl-1-(3-cyclopropyloxyphenyl)propan-1-amine
CID 105051847
2-amino-2-[3-(thian-4-yloxy)phenyl]ethanol
CID 115005306
1-(3-cyclopropyloxyphenyl)-2-phenylbutan-1-amine
CID 105051796
1-(3-cyclopropyloxyphenyl)-2-(oxolan-2-yl)ethanamine
CID 114521505
[1-(3-cyclopropyloxyphenyl)-3-methylbutyl]hydrazine
CID 105199146
1-(3-cyclopropyloxyphenyl)-2-methoxypentan-1-amine
CID 114522245

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanamine?
The IUPAC name of 1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanamine (CID 114521659) is 1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanamine.
What is the SMILES notation for 1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanamine?
The canonical SMILES for 1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanamine is CSCC(N)c1cccc(OC2CC2)c1.
What is the InChIKey of 1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanamine?
The InChIKey is RRWXIKQUHXKVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-15-8-12(13)9-3-2-4-11(7-9)14-10-5-6-10/h2-4,7,10,12H,5-6,8,13H2,1H3.
What are the key properties of 1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanamine?
1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanamine has a molecular weight of 223.34 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanamine is sourced from PubChem (CID 114521659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).