2-methyl-1-(4-propan-2-yloxyphenyl)sulfanylpropan-2-amine

C13H21NOS — CID 117032627

IUPAC2-methyl-1-(4-propan-2-yloxyphenyl)sulfanylpropan-2-amine
SMILESCC(C)Oc1ccc(SCC(C)(C)N)cc1
InChIInChI=1S/C13H21NOS/c1-10(2)15-11-5-7-12(8-6-11)16-9-13(3,4)14/h5-8,10H,9,14H2,1-4H3
InChIKeySZAADUZBAMXHFU-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.30
Rot. Bonds5

About 2-methyl-1-(4-propan-2-yloxyphenyl)sulfanylpropan-2-amine

2-methyl-1-(4-propan-2-yloxyphenyl)sulfanylpropan-2-amine (PubChem CID 117032627) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 2-methyl-1-(4-propan-2-yloxyphenyl)sulfanylpropan-2-amine.

Molecular Properties

Compound Name2-methyl-1-(4-propan-2-yloxyphenyl)sulfanylpropan-2-amine
PubChem CID117032627
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name2-methyl-1-(4-propan-2-yloxyphenyl)sulfanylpropan-2-amine
SMILESCC(C)Oc1ccc(SCC(C)(C)N)cc1
InChIInChI=1S/C13H21NOS/c1-10(2)15-11-5-7-12(8-6-11)16-9-13(3,4)14/h5-8,10H,9,14H2,1-4H3
InChIKeySZAADUZBAMXHFU-UHFFFAOYSA-N
XLogP3.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-propan-2-yloxyphenyl)sulfanylethanethiol
CID 117033741
S-(4-propan-2-yloxyphenyl)thiohydroxylamine
CID 117033766
2-(4-propan-2-yloxyphenyl)sulfanylacetonitrile
CID 116853805
3-methyl-1-N-[2-(4-propan-2-yloxyphenyl)ethyl]butane-1,3-diamine
CID 115200801
4-methyl-1-(4-propan-2-yloxyphenyl)pentane-1,4-diamine
CID 116934759
2-(4-propan-2-yloxyphenyl)propane-1,2-diamine
CID 116855579
2-methyl-2-(4-propan-2-yloxyphenyl)sulfanylpropan-1-ol
CID 116852304
(1R)-2,2-dimethyl-1-(4-propan-2-yloxyphenyl)propan-1-amine;hydrochloride
CID 171250029
4,4-dimethyl-3-(4-propan-2-yloxyphenyl)pentan-1-amine
CID 112508783
2-(4-bromophenyl)sulfanyl-1-(4-propan-2-yloxyphenyl)ethanone
CID 66054282
(1S)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 7446792
N-(2-phenylsulfanylethyl)-4-propan-2-yloxyaniline
CID 79213159

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-propan-2-yloxyphenyl)sulfanylpropan-2-amine?
The IUPAC name of 2-methyl-1-(4-propan-2-yloxyphenyl)sulfanylpropan-2-amine (CID 117032627) is 2-methyl-1-(4-propan-2-yloxyphenyl)sulfanylpropan-2-amine.
What is the SMILES notation for 2-methyl-1-(4-propan-2-yloxyphenyl)sulfanylpropan-2-amine?
The canonical SMILES for 2-methyl-1-(4-propan-2-yloxyphenyl)sulfanylpropan-2-amine is CC(C)Oc1ccc(SCC(C)(C)N)cc1.
What is the InChIKey of 2-methyl-1-(4-propan-2-yloxyphenyl)sulfanylpropan-2-amine?
The InChIKey is SZAADUZBAMXHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-10(2)15-11-5-7-12(8-6-11)16-9-13(3,4)14/h5-8,10H,9,14H2,1-4H3.
What are the key properties of 2-methyl-1-(4-propan-2-yloxyphenyl)sulfanylpropan-2-amine?
2-methyl-1-(4-propan-2-yloxyphenyl)sulfanylpropan-2-amine has a molecular weight of 239.38 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-propan-2-yloxyphenyl)sulfanylpropan-2-amine is sourced from PubChem (CID 117032627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).