N-[(4-bromothiophen-3-yl)-(2-methylcyclopentyl)methyl]ethanamine

C13H20BrNS — CID 107189939

IUPACN-[(4-bromothiophen-3-yl)-(2-methylcyclopentyl)methyl]ethanamine
SMILESCCNC(c1cscc1Br)C1CCCC1C
InChIInChI=1S/C13H20BrNS/c1-3-15-13(10-6-4-5-9(10)2)11-7-16-8-12(11)14/h7-10,13,15H,3-6H2,1-2H3
InChIKeyBGQCBXHWIUBTHZ-UHFFFAOYSA-N
MW302.28 g/mol
LogP4.60
Rot. Bonds4

About N-[(4-bromothiophen-3-yl)-(2-methylcyclopentyl)methyl]ethanamine

N-[(4-bromothiophen-3-yl)-(2-methylcyclopentyl)methyl]ethanamine (PubChem CID 107189939) has the molecular formula C13H20BrNS and a molecular weight of 302.28 g/mol. Its IUPAC name is N-[(4-bromothiophen-3-yl)-(2-methylcyclopentyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromothiophen-3-yl)-(2-methylcyclopentyl)methyl]ethanamine
PubChem CID107189939
Molecular FormulaC13H20BrNS
Molecular Weight302.28 g/mol
Exact Mass301.05
IUPAC NameN-[(4-bromothiophen-3-yl)-(2-methylcyclopentyl)methyl]ethanamine
SMILESCCNC(c1cscc1Br)C1CCCC1C
InChIInChI=1S/C13H20BrNS/c1-3-15-13(10-6-4-5-9(10)2)11-7-16-8-12(11)14/h7-10,13,15H,3-6H2,1-2H3
InChIKeyBGQCBXHWIUBTHZ-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromothiophen-3-yl)-(4,4-difluorocyclohexyl)methyl]ethanamine
CID 105166720
N-[(2-bromo-4-ethoxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107178004
N-[(2-methylcyclopentyl)-(2,4,5-trifluorophenyl)methyl]ethanamine
CID 107178293
N-[(4-bromothiophen-3-yl)-(4-butylcyclohexyl)methyl]ethanamine
CID 105010508
N-[(3-bromo-2,6-difluorophenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107191861
1-(4-bromothiophen-3-yl)-2-cyclopropyl-N-ethylpropan-1-amine
CID 105010609
N-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-bromothiophen-3-yl)methyl]ethanamine
CID 79602155
N-[(3,5-dimethylphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107187849
N-[(4,5-dimethoxy-2-methylphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107177620
4-(4-bromothiophen-3-yl)-N-ethylpentan-2-amine
CID 79602709
N-[(2-methylcyclopentyl)-pyrimidin-5-ylmethyl]ethanamine
CID 107188092
N-[(2-methylcyclopentyl)-(2,3,5,6-tetramethylphenyl)methyl]ethanamine
CID 107177395

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-3-yl)-(2-methylcyclopentyl)methyl]ethanamine?
The IUPAC name of N-[(4-bromothiophen-3-yl)-(2-methylcyclopentyl)methyl]ethanamine (CID 107189939) is N-[(4-bromothiophen-3-yl)-(2-methylcyclopentyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromothiophen-3-yl)-(2-methylcyclopentyl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromothiophen-3-yl)-(2-methylcyclopentyl)methyl]ethanamine is CCNC(c1cscc1Br)C1CCCC1C.
What is the InChIKey of N-[(4-bromothiophen-3-yl)-(2-methylcyclopentyl)methyl]ethanamine?
The InChIKey is BGQCBXHWIUBTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNS/c1-3-15-13(10-6-4-5-9(10)2)11-7-16-8-12(11)14/h7-10,13,15H,3-6H2,1-2H3.
What are the key properties of N-[(4-bromothiophen-3-yl)-(2-methylcyclopentyl)methyl]ethanamine?
N-[(4-bromothiophen-3-yl)-(2-methylcyclopentyl)methyl]ethanamine has a molecular weight of 302.28 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-3-yl)-(2-methylcyclopentyl)methyl]ethanamine is sourced from PubChem (CID 107189939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).