N-[cyclopentyl(thiophen-2-yl)methyl]-2-(3-methylphenyl)ethanamine

C19H25NS — CID 63478842

IUPACN-[cyclopentyl(thiophen-2-yl)methyl]-2-(3-methylphenyl)ethanamine
SMILESCc1cccc(CCNC(c2cccs2)C2CCCC2)c1
InChIInChI=1S/C19H25NS/c1-15-6-4-7-16(14-15)11-12-20-19(17-8-2-3-9-17)18-10-5-13-21-18/h4-7,10,13-14,17,19-20H,2-3,8-9,11-12H2,1H3
InChIKeyIWXPDDOACLLMBZ-UHFFFAOYSA-N
MW299.48 g/mol
LogP5.12
Rot. Bonds6

About N-[cyclopentyl(thiophen-2-yl)methyl]-2-(3-methylphenyl)ethanamine

N-[cyclopentyl(thiophen-2-yl)methyl]-2-(3-methylphenyl)ethanamine (PubChem CID 63478842) has the molecular formula C19H25NS and a molecular weight of 299.48 g/mol. Its IUPAC name is N-[cyclopentyl(thiophen-2-yl)methyl]-2-(3-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-[cyclopentyl(thiophen-2-yl)methyl]-2-(3-methylphenyl)ethanamine
PubChem CID63478842
Molecular FormulaC19H25NS
Molecular Weight299.48 g/mol
Exact Mass299.17
IUPAC NameN-[cyclopentyl(thiophen-2-yl)methyl]-2-(3-methylphenyl)ethanamine
SMILESCc1cccc(CCNC(c2cccs2)C2CCCC2)c1
InChIInChI=1S/C19H25NS/c1-15-6-4-7-16(14-15)11-12-20-19(17-8-2-3-9-17)18-10-5-13-21-18/h4-7,10,13-14,17,19-20H,2-3,8-9,11-12H2,1H3
InChIKeyIWXPDDOACLLMBZ-UHFFFAOYSA-N
XLogP5.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.48
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-1-cyclopentyl-1-thiophen-2-ylmethanamine
CID 43740592
N-(dicyclopropylmethyl)-2-(3-methylphenyl)ethanamine
CID 55062566
2-[[[cyclopentyl(thiophen-2-yl)methyl]amino]methyl]-4-methylphenol
CID 63324944
2-(5-chlorothiophen-2-yl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine
CID 106041995
N-[cyclopropyl(thiophen-2-yl)methyl]propan-1-amine
CID 43495964
N-[cyclopentyl(thiophen-2-yl)methyl]-4-methylaniline
CID 43765836
N-cyclohexyl-2-[2-(3-methylphenyl)ethylamino]propanamide
CID 62313383
N-[2-(3-methylphenyl)ethyl]propan-2-amine
CID 62315169
N-[cyclopentyl(thiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 43768039
2-butoxy-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine
CID 61170868
1-cyclopentyl-N-[(3,5-difluorophenyl)methyl]-1-thiophen-2-ylmethanamine
CID 103851306
1-cyclopentyl-N-[(2-methylcyclopentyl)methyl]-1-thiophen-2-ylmethanamine
CID 107417281

Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl(thiophen-2-yl)methyl]-2-(3-methylphenyl)ethanamine?
The IUPAC name of N-[cyclopentyl(thiophen-2-yl)methyl]-2-(3-methylphenyl)ethanamine (CID 63478842) is N-[cyclopentyl(thiophen-2-yl)methyl]-2-(3-methylphenyl)ethanamine.
What is the SMILES notation for N-[cyclopentyl(thiophen-2-yl)methyl]-2-(3-methylphenyl)ethanamine?
The canonical SMILES for N-[cyclopentyl(thiophen-2-yl)methyl]-2-(3-methylphenyl)ethanamine is Cc1cccc(CCNC(c2cccs2)C2CCCC2)c1.
What is the InChIKey of N-[cyclopentyl(thiophen-2-yl)methyl]-2-(3-methylphenyl)ethanamine?
The InChIKey is IWXPDDOACLLMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NS/c1-15-6-4-7-16(14-15)11-12-20-19(17-8-2-3-9-17)18-10-5-13-21-18/h4-7,10,13-14,17,19-20H,2-3,8-9,11-12H2,1H3.
What are the key properties of N-[cyclopentyl(thiophen-2-yl)methyl]-2-(3-methylphenyl)ethanamine?
N-[cyclopentyl(thiophen-2-yl)methyl]-2-(3-methylphenyl)ethanamine has a molecular weight of 299.48 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl(thiophen-2-yl)methyl]-2-(3-methylphenyl)ethanamine is sourced from PubChem (CID 63478842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).