1-cyclopentylsulfanyl-4-(4-methoxyphenyl)butan-2-amine

C16H25NOS — CID 65447240

IUPAC1-cyclopentylsulfanyl-4-(4-methoxyphenyl)butan-2-amine
SMILESCOc1ccc(CCC(N)CSC2CCCC2)cc1
InChIInChI=1S/C16H25NOS/c1-18-15-10-7-13(8-11-15)6-9-14(17)12-19-16-4-2-3-5-16/h7-8,10-11,14,16H,2-6,9,12,17H2,1H3
InChIKeyGEMATPLSDZICQP-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.63
Rot. Bonds7

About 1-cyclopentylsulfanyl-4-(4-methoxyphenyl)butan-2-amine

1-cyclopentylsulfanyl-4-(4-methoxyphenyl)butan-2-amine (PubChem CID 65447240) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is 1-cyclopentylsulfanyl-4-(4-methoxyphenyl)butan-2-amine.

Molecular Properties

Compound Name1-cyclopentylsulfanyl-4-(4-methoxyphenyl)butan-2-amine
PubChem CID65447240
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC Name1-cyclopentylsulfanyl-4-(4-methoxyphenyl)butan-2-amine
SMILESCOc1ccc(CCC(N)CSC2CCCC2)cc1
InChIInChI=1S/C16H25NOS/c1-18-15-10-7-13(8-11-15)6-9-14(17)12-19-16-4-2-3-5-16/h7-8,10-11,14,16H,2-6,9,12,17H2,1H3
InChIKeyGEMATPLSDZICQP-UHFFFAOYSA-N
XLogP3.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-3-(4-methoxyphenyl)propan-1-amine
CID 65446100
4-(4-methoxyphenyl)-1-phenylsulfanylbutan-2-amine
CID 65444591
N-[4-(4-methoxyphenyl)butan-2-yl]cyclohexanamine
CID 43755987
N-(cyclopentylmethyl)-4-(4-methoxyphenyl)butan-2-amine
CID 43775517
1-cyclopentylsulfanylpentan-2-amine
CID 64628608
1-cyclooctyl-3-(4-methoxyphenyl)propan-1-ol
CID 80603730
5-methoxy-1-(4-methoxyphenyl)hexan-3-amine
CID 113391349
1-(4-ethylphenyl)-4-(4-methoxyphenyl)butan-2-amine
CID 115803356
N-(2-cyclohexylsulfanylethyl)-3-(4-methoxyphenyl)propanamide
CID 100591529
1-cyclohexyl-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 65445325
4-(4-methoxyphenyl)-1-(3-methylphenyl)sulfanylbutan-2-amine
CID 66086597
2-cyclopentylsulfanyl-N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 64628145

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylsulfanyl-4-(4-methoxyphenyl)butan-2-amine?
The IUPAC name of 1-cyclopentylsulfanyl-4-(4-methoxyphenyl)butan-2-amine (CID 65447240) is 1-cyclopentylsulfanyl-4-(4-methoxyphenyl)butan-2-amine.
What is the SMILES notation for 1-cyclopentylsulfanyl-4-(4-methoxyphenyl)butan-2-amine?
The canonical SMILES for 1-cyclopentylsulfanyl-4-(4-methoxyphenyl)butan-2-amine is COc1ccc(CCC(N)CSC2CCCC2)cc1.
What is the InChIKey of 1-cyclopentylsulfanyl-4-(4-methoxyphenyl)butan-2-amine?
The InChIKey is GEMATPLSDZICQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-18-15-10-7-13(8-11-15)6-9-14(17)12-19-16-4-2-3-5-16/h7-8,10-11,14,16H,2-6,9,12,17H2,1H3.
What are the key properties of 1-cyclopentylsulfanyl-4-(4-methoxyphenyl)butan-2-amine?
1-cyclopentylsulfanyl-4-(4-methoxyphenyl)butan-2-amine has a molecular weight of 279.45 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylsulfanyl-4-(4-methoxyphenyl)butan-2-amine is sourced from PubChem (CID 65447240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).