2-(cyclopentylmethylsulfanyl)-N-ethyl-1-(4-propan-2-ylphenyl)ethanamine

C19H31NS — CID 64626807

IUPAC2-(cyclopentylmethylsulfanyl)-N-ethyl-1-(4-propan-2-ylphenyl)ethanamine
SMILESCCNC(CSCC1CCCC1)c1ccc(C(C)C)cc1
InChIInChI=1S/C19H31NS/c1-4-20-19(14-21-13-16-7-5-6-8-16)18-11-9-17(10-12-18)15(2)3/h9-12,15-16,19-20H,4-8,13-14H2,1-3H3
InChIKeyYCUQHOQIAGTDTH-UHFFFAOYSA-N
MW305.53 g/mol
LogP5.38
Rot. Bonds8

About 2-(cyclopentylmethylsulfanyl)-N-ethyl-1-(4-propan-2-ylphenyl)ethanamine

2-(cyclopentylmethylsulfanyl)-N-ethyl-1-(4-propan-2-ylphenyl)ethanamine (PubChem CID 64626807) has the molecular formula C19H31NS and a molecular weight of 305.53 g/mol. Its IUPAC name is 2-(cyclopentylmethylsulfanyl)-N-ethyl-1-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name2-(cyclopentylmethylsulfanyl)-N-ethyl-1-(4-propan-2-ylphenyl)ethanamine
PubChem CID64626807
Molecular FormulaC19H31NS
Molecular Weight305.53 g/mol
Exact Mass305.22
IUPAC Name2-(cyclopentylmethylsulfanyl)-N-ethyl-1-(4-propan-2-ylphenyl)ethanamine
SMILESCCNC(CSCC1CCCC1)c1ccc(C(C)C)cc1
InChIInChI=1S/C19H31NS/c1-4-20-19(14-21-13-16-7-5-6-8-16)18-11-9-17(10-12-18)15(2)3/h9-12,15-16,19-20H,4-8,13-14H2,1-3H3
InChIKeyYCUQHOQIAGTDTH-UHFFFAOYSA-N
XLogP5.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.53
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-butan-2-ylphenyl)-2-cyclobutyl-N-ethylethanamine
CID 103162893
ethyl 2-[2-(ethylamino)-2-(4-propan-2-ylphenyl)ethyl]sulfanylacetate
CID 64615017
1-(4-chloro-3-fluorophenyl)-2-cyclohexyl-N-ethylethanamine
CID 107992592
N-ethyl-1-(4-propan-2-ylphenyl)but-3-en-1-amine
CID 61380125
N-(cyclohexylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 43215868
1-(3,4-dimethylphenyl)-N-ethyl-2-(oxolan-2-ylmethylsulfanyl)ethanamine
CID 106496920
2-cyclopentylsulfanyl-1-(4-ethoxyphenyl)-N-ethylethanamine
CID 64628346
2-cyclopentylsulfanyl-N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 64628145
2-cyclobutyl-N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 65458581
1-(3-bromo-4-chlorophenyl)-2-cyclopentyl-N-ethylethanamine
CID 113337189
2-cyclohexylsulfanyl-1-(4-ethoxyphenyl)-N-ethylethanamine
CID 64632442
N-ethyl-2-(2-methylpropylsulfanyl)-1-(4-propylphenyl)ethanamine
CID 64611527

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethylsulfanyl)-N-ethyl-1-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of 2-(cyclopentylmethylsulfanyl)-N-ethyl-1-(4-propan-2-ylphenyl)ethanamine (CID 64626807) is 2-(cyclopentylmethylsulfanyl)-N-ethyl-1-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for 2-(cyclopentylmethylsulfanyl)-N-ethyl-1-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for 2-(cyclopentylmethylsulfanyl)-N-ethyl-1-(4-propan-2-ylphenyl)ethanamine is CCNC(CSCC1CCCC1)c1ccc(C(C)C)cc1.
What is the InChIKey of 2-(cyclopentylmethylsulfanyl)-N-ethyl-1-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is YCUQHOQIAGTDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NS/c1-4-20-19(14-21-13-16-7-5-6-8-16)18-11-9-17(10-12-18)15(2)3/h9-12,15-16,19-20H,4-8,13-14H2,1-3H3.
What are the key properties of 2-(cyclopentylmethylsulfanyl)-N-ethyl-1-(4-propan-2-ylphenyl)ethanamine?
2-(cyclopentylmethylsulfanyl)-N-ethyl-1-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 305.53 g/mol, XLogP of 5.38, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethylsulfanyl)-N-ethyl-1-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 64626807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).