2-(2-methyloxolan-3-yl)sulfanyl-1-(2-methylphenyl)ethanamine

C14H21NOS — CID 107762814

IUPAC2-(2-methyloxolan-3-yl)sulfanyl-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1C(N)CSC1CCOC1C
InChIInChI=1S/C14H21NOS/c1-10-5-3-4-6-12(10)13(15)9-17-14-7-8-16-11(14)2/h3-6,11,13-14H,7-9,15H2,1-2H3
InChIKeyXRCMLYQSUFXUBN-UHFFFAOYSA-N
MW251.39 g/mol
LogP2.91
Rot. Bonds4

About 2-(2-methyloxolan-3-yl)sulfanyl-1-(2-methylphenyl)ethanamine

2-(2-methyloxolan-3-yl)sulfanyl-1-(2-methylphenyl)ethanamine (PubChem CID 107762814) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 2-(2-methyloxolan-3-yl)sulfanyl-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-methyloxolan-3-yl)sulfanyl-1-(2-methylphenyl)ethanamine
PubChem CID107762814
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name2-(2-methyloxolan-3-yl)sulfanyl-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1C(N)CSC1CCOC1C
InChIInChI=1S/C14H21NOS/c1-10-5-3-4-6-12(10)13(15)9-17-14-7-8-16-11(14)2/h3-6,11,13-14H,7-9,15H2,1-2H3
InChIKeyXRCMLYQSUFXUBN-UHFFFAOYSA-N
XLogP2.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylphenyl)-2-(oxan-4-ylsulfanyl)ethanamine
CID 64625961
(1R)-1-[2-(2-methyloxolan-3-yl)sulfanylphenyl]ethanamine
CID 107750521
1-(2,5-dimethylphenyl)-N-ethyl-2-(2-methyloxolan-3-yl)sulfanylethanamine
CID 107762758
2-amino-3-(2-methyloxolan-3-yl)sulfanylpropanenitrile
CID 107754835
1-(2,5-dimethoxyphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfanylethanamine
CID 107762559
1-(2-methoxyphenyl)-1-(2-methyloxolan-3-yl)sulfanylpropan-2-amine
CID 107748324
N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine
CID 62629255
N-[3-(2-methyloxolan-3-yl)sulfanylpropyl]aniline
CID 107756872
[2-(2-methyloxolan-3-yl)sulfanylphenyl]methanamine
CID 107751940
2-methyl-3-(2-methyloxolan-3-yl)sulfanylpropane-1-thiol
CID 107766412
3-chloro-2-[(2-methyloxolan-3-yl)sulfanylmethyl]aniline
CID 107748250
N'-cyclopropyl-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine
CID 62630764

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyloxolan-3-yl)sulfanyl-1-(2-methylphenyl)ethanamine?
The IUPAC name of 2-(2-methyloxolan-3-yl)sulfanyl-1-(2-methylphenyl)ethanamine (CID 107762814) is 2-(2-methyloxolan-3-yl)sulfanyl-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for 2-(2-methyloxolan-3-yl)sulfanyl-1-(2-methylphenyl)ethanamine?
The canonical SMILES for 2-(2-methyloxolan-3-yl)sulfanyl-1-(2-methylphenyl)ethanamine is Cc1ccccc1C(N)CSC1CCOC1C.
What is the InChIKey of 2-(2-methyloxolan-3-yl)sulfanyl-1-(2-methylphenyl)ethanamine?
The InChIKey is XRCMLYQSUFXUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-10-5-3-4-6-12(10)13(15)9-17-14-7-8-16-11(14)2/h3-6,11,13-14H,7-9,15H2,1-2H3.
What are the key properties of 2-(2-methyloxolan-3-yl)sulfanyl-1-(2-methylphenyl)ethanamine?
2-(2-methyloxolan-3-yl)sulfanyl-1-(2-methylphenyl)ethanamine has a molecular weight of 251.39 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyloxolan-3-yl)sulfanyl-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 107762814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).