N-[1-(3-bromothiophen-2-yl)ethyl]-3-methoxycyclopentan-1-amine

C12H18BrNOS — CID 103082860

IUPACN-[1-(3-bromothiophen-2-yl)ethyl]-3-methoxycyclopentan-1-amine
SMILESCOC1CCC(NC(C)c2sccc2Br)C1
InChIInChI=1S/C12H18BrNOS/c1-8(12-11(13)5-6-16-12)14-9-3-4-10(7-9)15-2/h5-6,8-10,14H,3-4,7H2,1-2H3
InChIKeyLIBIISZLABXSHJ-UHFFFAOYSA-N
MW304.25 g/mol
LogP3.73
Rot. Bonds4

About N-[1-(3-bromothiophen-2-yl)ethyl]-3-methoxycyclopentan-1-amine

N-[1-(3-bromothiophen-2-yl)ethyl]-3-methoxycyclopentan-1-amine (PubChem CID 103082860) has the molecular formula C12H18BrNOS and a molecular weight of 304.25 g/mol. Its IUPAC name is N-[1-(3-bromothiophen-2-yl)ethyl]-3-methoxycyclopentan-1-amine.

Molecular Properties

Compound NameN-[1-(3-bromothiophen-2-yl)ethyl]-3-methoxycyclopentan-1-amine
PubChem CID103082860
Molecular FormulaC12H18BrNOS
Molecular Weight304.25 g/mol
Exact Mass303.03
IUPAC NameN-[1-(3-bromothiophen-2-yl)ethyl]-3-methoxycyclopentan-1-amine
SMILESCOC1CCC(NC(C)c2sccc2Br)C1
InChIInChI=1S/C12H18BrNOS/c1-8(12-11(13)5-6-16-12)14-9-3-4-10(7-9)15-2/h5-6,8-10,14H,3-4,7H2,1-2H3
InChIKeyLIBIISZLABXSHJ-UHFFFAOYSA-N
XLogP3.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-bromothiophen-2-yl)ethyl]-3-methoxycyclobutan-1-amine
CID 104584469
N-[1-(3-bromothiophen-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43788030
N-[1-(3-bromothiophen-2-yl)ethyl]thiolan-3-amine
CID 103902688
tert-butyl N-[4-[1-(3-bromothiophen-2-yl)ethylamino]cyclohexyl]carbamate
CID 103785654
N-[1-(3-bromothiophen-2-yl)ethyl]-2-ethylcyclopropan-1-amine
CID 103783802
3-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]cyclopentan-1-amine
CID 103082789
1-[4-[1-(3-bromothiophen-2-yl)ethylamino]piperidin-1-yl]-2-methoxyethanone
CID 43791438
N-[1-(3-bromothiophen-2-yl)ethyl]-2,4-dimethylcyclohexan-1-amine
CID 63996638
(1R)-N-[1-(3-bromothiophen-2-yl)ethyl]-1-cyclopentylethanamine
CID 81394247
N-[(1S)-1-(4-bromophenyl)ethyl]-3-methoxycyclohexan-1-amine
CID 81359504
N-[1-(3-bromothiophen-2-yl)ethyl]cyclohex-2-en-1-amine
CID 115893699
N-[1-(4-bromophenyl)propyl]-3-methoxycyclopentan-1-amine
CID 103080693

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromothiophen-2-yl)ethyl]-3-methoxycyclopentan-1-amine?
The IUPAC name of N-[1-(3-bromothiophen-2-yl)ethyl]-3-methoxycyclopentan-1-amine (CID 103082860) is N-[1-(3-bromothiophen-2-yl)ethyl]-3-methoxycyclopentan-1-amine.
What is the SMILES notation for N-[1-(3-bromothiophen-2-yl)ethyl]-3-methoxycyclopentan-1-amine?
The canonical SMILES for N-[1-(3-bromothiophen-2-yl)ethyl]-3-methoxycyclopentan-1-amine is COC1CCC(NC(C)c2sccc2Br)C1.
What is the InChIKey of N-[1-(3-bromothiophen-2-yl)ethyl]-3-methoxycyclopentan-1-amine?
The InChIKey is LIBIISZLABXSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNOS/c1-8(12-11(13)5-6-16-12)14-9-3-4-10(7-9)15-2/h5-6,8-10,14H,3-4,7H2,1-2H3.
What are the key properties of N-[1-(3-bromothiophen-2-yl)ethyl]-3-methoxycyclopentan-1-amine?
N-[1-(3-bromothiophen-2-yl)ethyl]-3-methoxycyclopentan-1-amine has a molecular weight of 304.25 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromothiophen-2-yl)ethyl]-3-methoxycyclopentan-1-amine is sourced from PubChem (CID 103082860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).