1-cyclopentylsulfanyl-1-(2-methoxyphenyl)propan-2-amine

C15H23NOS — CID 63115132

IUPAC1-cyclopentylsulfanyl-1-(2-methoxyphenyl)propan-2-amine
SMILESCOc1ccccc1C(SC1CCCC1)C(C)N
InChIInChI=1S/C15H23NOS/c1-11(16)15(18-12-7-3-4-8-12)13-9-5-6-10-14(13)17-2/h5-6,9-12,15H,3-4,7-8,16H2,1-2H3
InChIKeyFFGKEXSRCBVJNX-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.76
Rot. Bonds5

About 1-cyclopentylsulfanyl-1-(2-methoxyphenyl)propan-2-amine

1-cyclopentylsulfanyl-1-(2-methoxyphenyl)propan-2-amine (PubChem CID 63115132) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 1-cyclopentylsulfanyl-1-(2-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-cyclopentylsulfanyl-1-(2-methoxyphenyl)propan-2-amine
PubChem CID63115132
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name1-cyclopentylsulfanyl-1-(2-methoxyphenyl)propan-2-amine
SMILESCOc1ccccc1C(SC1CCCC1)C(C)N
InChIInChI=1S/C15H23NOS/c1-11(16)15(18-12-7-3-4-8-12)13-9-5-6-10-14(13)17-2/h5-6,9-12,15H,3-4,7-8,16H2,1-2H3
InChIKeyFFGKEXSRCBVJNX-UHFFFAOYSA-N
XLogP3.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexylsulfanyl-1-(2-methylphenyl)propan-2-amine
CID 55019210
1-(2-methoxyphenyl)-1-(2-methyloxolan-3-yl)sulfanylpropan-2-amine
CID 107748324
1-[cyclohexyl-(2-methoxyphenyl)methyl]-2-methoxybenzene
CID 70442414
1-(2-methoxyphenyl)-1-(3-methylbutan-2-ylsulfanyl)propan-2-amine
CID 107748724
(R)-cyclopentyl-(2-methoxyphenyl)methanamine;hydrochloride
CID 171200457
1-butan-2-ylsulfanyl-1-(2-methoxyphenyl)propan-2-amine
CID 55021945
1-(2-methoxyphenyl)-1-(oxetan-3-ylsulfanyl)butan-2-amine
CID 79325944
1-(2-methoxyphenyl)-1-(2-methylsulfonylethylsulfanyl)propan-2-amine
CID 63660617
(R)-cyclopropyl-(2-methoxyphenyl)methanamine
CID 45072420
(2-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine
CID 65423601
1-[2-cyclohexylsulfanyl-1-(2-methoxyphenyl)-2-pyridin-2-ylethyl]piperazine
CID 67714911
2-cyclopentylsulfanyl-1-(2-fluoro-3-methoxyphenyl)ethanamine
CID 82807188

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylsulfanyl-1-(2-methoxyphenyl)propan-2-amine?
The IUPAC name of 1-cyclopentylsulfanyl-1-(2-methoxyphenyl)propan-2-amine (CID 63115132) is 1-cyclopentylsulfanyl-1-(2-methoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-cyclopentylsulfanyl-1-(2-methoxyphenyl)propan-2-amine?
The canonical SMILES for 1-cyclopentylsulfanyl-1-(2-methoxyphenyl)propan-2-amine is COc1ccccc1C(SC1CCCC1)C(C)N.
What is the InChIKey of 1-cyclopentylsulfanyl-1-(2-methoxyphenyl)propan-2-amine?
The InChIKey is FFGKEXSRCBVJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-11(16)15(18-12-7-3-4-8-12)13-9-5-6-10-14(13)17-2/h5-6,9-12,15H,3-4,7-8,16H2,1-2H3.
What are the key properties of 1-cyclopentylsulfanyl-1-(2-methoxyphenyl)propan-2-amine?
1-cyclopentylsulfanyl-1-(2-methoxyphenyl)propan-2-amine has a molecular weight of 265.42 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylsulfanyl-1-(2-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 63115132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).