[3-(cyclopentylmethylsulfanylmethyl)-4-methoxyphenyl]methanamine

C15H23NOS — CID 64626991

IUPAC[3-(cyclopentylmethylsulfanylmethyl)-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)cc1CSCC1CCCC1
InChIInChI=1S/C15H23NOS/c1-17-15-7-6-13(9-16)8-14(15)11-18-10-12-4-2-3-5-12/h6-8,12H,2-5,9-11,16H2,1H3
InChIKeyXNPSBOZMOSHMSR-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.58
Rot. Bonds6

About [3-(cyclopentylmethylsulfanylmethyl)-4-methoxyphenyl]methanamine

[3-(cyclopentylmethylsulfanylmethyl)-4-methoxyphenyl]methanamine (PubChem CID 64626991) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is [3-(cyclopentylmethylsulfanylmethyl)-4-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[3-(cyclopentylmethylsulfanylmethyl)-4-methoxyphenyl]methanamine
PubChem CID64626991
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name[3-(cyclopentylmethylsulfanylmethyl)-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)cc1CSCC1CCCC1
InChIInChI=1S/C15H23NOS/c1-17-15-7-6-13(9-16)8-14(15)11-18-10-12-4-2-3-5-12/h6-8,12H,2-5,9-11,16H2,1H3
InChIKeyXNPSBOZMOSHMSR-UHFFFAOYSA-N
XLogP3.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-1-cyclohexyl-N-methylmethanamine
CID 62018368
[3-(cyclohexylmethoxy)-4-methoxyphenyl]methanamine
CID 43122515
[3-(cyclohexylsulfonylmethyl)-4-methoxyphenyl]methanamine
CID 64673615
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-1-cyclopentyl-N-methylmethanamine
CID 65338383
[2-(cyclopentylmethylsulfanylmethyl)-4-fluorophenyl]methanamine
CID 64765035
[3-[(dimethylamino)methyl]-4-methoxyphenyl]methanamine;hydrochloride
CID 156589399
3-[5-(cyclopentylmethylsulfanylmethyl)-2-methoxyphenyl]prop-2-yn-1-ol
CID 63120155
[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-4-methoxyphenyl]methanamine
CID 115559132
[3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-4-methoxyphenyl]methanamine
CID 102725578
[3-[(2-ethylcyclohexyl)oxymethyl]-4-methoxyphenyl]methanamine
CID 62017257
[5-(cyclohexyloxymethyl)-2-methoxyphenyl]methanamine
CID 65338634
[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-4-methoxyphenyl]methanamine
CID 62018729

Frequently Asked Questions

What is the IUPAC name of [3-(cyclopentylmethylsulfanylmethyl)-4-methoxyphenyl]methanamine?
The IUPAC name of [3-(cyclopentylmethylsulfanylmethyl)-4-methoxyphenyl]methanamine (CID 64626991) is [3-(cyclopentylmethylsulfanylmethyl)-4-methoxyphenyl]methanamine.
What is the SMILES notation for [3-(cyclopentylmethylsulfanylmethyl)-4-methoxyphenyl]methanamine?
The canonical SMILES for [3-(cyclopentylmethylsulfanylmethyl)-4-methoxyphenyl]methanamine is COc1ccc(CN)cc1CSCC1CCCC1.
What is the InChIKey of [3-(cyclopentylmethylsulfanylmethyl)-4-methoxyphenyl]methanamine?
The InChIKey is XNPSBOZMOSHMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-17-15-7-6-13(9-16)8-14(15)11-18-10-12-4-2-3-5-12/h6-8,12H,2-5,9-11,16H2,1H3.
What are the key properties of [3-(cyclopentylmethylsulfanylmethyl)-4-methoxyphenyl]methanamine?
[3-(cyclopentylmethylsulfanylmethyl)-4-methoxyphenyl]methanamine has a molecular weight of 265.42 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopentylmethylsulfanylmethyl)-4-methoxyphenyl]methanamine is sourced from PubChem (CID 64626991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).