2-(cyclopentylmethylsulfanyl)-1-[4-(2-methylpropyl)phenyl]ethanamine

C18H29NS — CID 64625982

IUPAC2-(cyclopentylmethylsulfanyl)-1-[4-(2-methylpropyl)phenyl]ethanamine
SMILESCC(C)Cc1ccc(C(N)CSCC2CCCC2)cc1
InChIInChI=1S/C18H29NS/c1-14(2)11-15-7-9-17(10-8-15)18(19)13-20-12-16-5-3-4-6-16/h7-10,14,16,18H,3-6,11-13,19H2,1-2H3
InChIKeyPEVAZRMJUCUBRY-UHFFFAOYSA-N
MW291.50 g/mol
LogP4.81
Rot. Bonds7

About 2-(cyclopentylmethylsulfanyl)-1-[4-(2-methylpropyl)phenyl]ethanamine

2-(cyclopentylmethylsulfanyl)-1-[4-(2-methylpropyl)phenyl]ethanamine (PubChem CID 64625982) has the molecular formula C18H29NS and a molecular weight of 291.50 g/mol. Its IUPAC name is 2-(cyclopentylmethylsulfanyl)-1-[4-(2-methylpropyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-(cyclopentylmethylsulfanyl)-1-[4-(2-methylpropyl)phenyl]ethanamine
PubChem CID64625982
Molecular FormulaC18H29NS
Molecular Weight291.50 g/mol
Exact Mass291.20
IUPAC Name2-(cyclopentylmethylsulfanyl)-1-[4-(2-methylpropyl)phenyl]ethanamine
SMILESCC(C)Cc1ccc(C(N)CSCC2CCCC2)cc1
InChIInChI=1S/C18H29NS/c1-14(2)11-15-7-9-17(10-8-15)18(19)13-20-12-16-5-3-4-6-16/h7-10,14,16,18H,3-6,11-13,19H2,1-2H3
InChIKeyPEVAZRMJUCUBRY-UHFFFAOYSA-N
XLogP4.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.50
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-methylpropyl)phenyl]-2-(oxolan-2-ylmethylsulfanyl)ethanamine
CID 106496760
N'-(cyclopentylmethyl)-N'-methyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine
CID 63631762
2-[2-amino-2-[4-(2-methylpropyl)phenyl]ethyl]sulfanylethanol
CID 64614387
2-(2-cyclobutylethoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 106200916
[2-chloro-2-[4-(2-methylpropyl)phenyl]ethyl]cycloheptane
CID 114458629
2-(cyclopentylmethylsulfanyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamine
CID 64626380
1-(1-bromo-2-cyclobutylethyl)-4-(2-methylpropyl)benzene
CID 103165712
2-(2-methylpiperidin-1-yl)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 43106407
cyclopropyl-[4-(2-methylpropyl)phenyl]methanamine
CID 4579734
3-cyclopentyl-1-[4-(2-methylpropyl)phenyl]propan-1-ol
CID 63427885
2-cycloheptyl-1-(4-propan-2-ylphenyl)ethanamine
CID 114457625
4-[amino-[4-(2-methylpropyl)phenyl]methyl]cyclohexan-1-amine
CID 116937134

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethylsulfanyl)-1-[4-(2-methylpropyl)phenyl]ethanamine?
The IUPAC name of 2-(cyclopentylmethylsulfanyl)-1-[4-(2-methylpropyl)phenyl]ethanamine (CID 64625982) is 2-(cyclopentylmethylsulfanyl)-1-[4-(2-methylpropyl)phenyl]ethanamine.
What is the SMILES notation for 2-(cyclopentylmethylsulfanyl)-1-[4-(2-methylpropyl)phenyl]ethanamine?
The canonical SMILES for 2-(cyclopentylmethylsulfanyl)-1-[4-(2-methylpropyl)phenyl]ethanamine is CC(C)Cc1ccc(C(N)CSCC2CCCC2)cc1.
What is the InChIKey of 2-(cyclopentylmethylsulfanyl)-1-[4-(2-methylpropyl)phenyl]ethanamine?
The InChIKey is PEVAZRMJUCUBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NS/c1-14(2)11-15-7-9-17(10-8-15)18(19)13-20-12-16-5-3-4-6-16/h7-10,14,16,18H,3-6,11-13,19H2,1-2H3.
What are the key properties of 2-(cyclopentylmethylsulfanyl)-1-[4-(2-methylpropyl)phenyl]ethanamine?
2-(cyclopentylmethylsulfanyl)-1-[4-(2-methylpropyl)phenyl]ethanamine has a molecular weight of 291.50 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethylsulfanyl)-1-[4-(2-methylpropyl)phenyl]ethanamine is sourced from PubChem (CID 64625982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).