1-butan-2-ylsulfanyl-1-(2-methoxyphenyl)propan-2-amine

C14H23NOS — CID 55021945

IUPAC1-butan-2-ylsulfanyl-1-(2-methoxyphenyl)propan-2-amine
SMILESCCC(C)SC(c1ccccc1OC)C(C)N
InChIInChI=1S/C14H23NOS/c1-5-10(2)17-14(11(3)15)12-8-6-7-9-13(12)16-4/h6-11,14H,5,15H2,1-4H3
InChIKeyHKDVWDWVJJEGSZ-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.62
Rot. Bonds6

About 1-butan-2-ylsulfanyl-1-(2-methoxyphenyl)propan-2-amine

1-butan-2-ylsulfanyl-1-(2-methoxyphenyl)propan-2-amine (PubChem CID 55021945) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 1-butan-2-ylsulfanyl-1-(2-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-butan-2-ylsulfanyl-1-(2-methoxyphenyl)propan-2-amine
PubChem CID55021945
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name1-butan-2-ylsulfanyl-1-(2-methoxyphenyl)propan-2-amine
SMILESCCC(C)SC(c1ccccc1OC)C(C)N
InChIInChI=1S/C14H23NOS/c1-5-10(2)17-14(11(3)15)12-8-6-7-9-13(12)16-4/h6-11,14H,5,15H2,1-4H3
InChIKeyHKDVWDWVJJEGSZ-UHFFFAOYSA-N
XLogP3.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyphenyl)-1-(3-methylbutan-2-ylsulfanyl)propan-2-amine
CID 107748724
(1R)-1-(2-methoxyphenyl)propan-1-amine;hydrochloride
CID 53484779
1-[(1R,2S)-1,2-bis(ethylsulfanyl)-2-(2-methoxyphenyl)ethyl]-2-methoxybenzene
CID 101140556
3-ethyl-1-(2-methoxyphenyl)pentan-1-amine
CID 82919557
1-(2-methoxyphenyl)-1-(2-methylsulfonylethylsulfanyl)propan-2-amine
CID 63660617
1-cyclopentylsulfanyl-1-(2-methoxyphenyl)propan-2-amine
CID 63115132
(1R)-1-[2-(2,5-dibromo-4-methoxyphenoxy)phenyl]ethanamine
CID 79403679
(1S)-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 51699599
1-(2-fluoro-3-methoxyphenyl)propan-1-amine;hydrochloride
CID 167713058
1-(2-methoxyphenyl)-2-(2-methylpropylsulfanyl)ethanamine
CID 64611517
(1R)-1-(2,6-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 171201163
(1S)-1-(2-methoxyphenyl)propane-1,3-diamine
CID 171219974

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-ylsulfanyl-1-(2-methoxyphenyl)propan-2-amine?
The IUPAC name of 1-butan-2-ylsulfanyl-1-(2-methoxyphenyl)propan-2-amine (CID 55021945) is 1-butan-2-ylsulfanyl-1-(2-methoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-butan-2-ylsulfanyl-1-(2-methoxyphenyl)propan-2-amine?
The canonical SMILES for 1-butan-2-ylsulfanyl-1-(2-methoxyphenyl)propan-2-amine is CCC(C)SC(c1ccccc1OC)C(C)N.
What is the InChIKey of 1-butan-2-ylsulfanyl-1-(2-methoxyphenyl)propan-2-amine?
The InChIKey is HKDVWDWVJJEGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-5-10(2)17-14(11(3)15)12-8-6-7-9-13(12)16-4/h6-11,14H,5,15H2,1-4H3.
What are the key properties of 1-butan-2-ylsulfanyl-1-(2-methoxyphenyl)propan-2-amine?
1-butan-2-ylsulfanyl-1-(2-methoxyphenyl)propan-2-amine has a molecular weight of 253.41 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-ylsulfanyl-1-(2-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 55021945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).