N-[(4-bromothiophen-3-yl)-(1-phenylcyclopentyl)methyl]ethanamine

C18H22BrNS — CID 79590126

IUPACN-[(4-bromothiophen-3-yl)-(1-phenylcyclopentyl)methyl]ethanamine
SMILESCCNC(c1cscc1Br)C1(c2ccccc2)CCCC1
InChIInChI=1S/C18H22BrNS/c1-2-20-17(15-12-21-13-16(15)19)18(10-6-7-11-18)14-8-4-3-5-9-14/h3-5,8-9,12-13,17,20H,2,6-7,10-11H2,1H3
InChIKeyXEFJWMAICNBSSM-UHFFFAOYSA-N
MW364.35 g/mol
LogP5.67
Rot. Bonds5

About N-[(4-bromothiophen-3-yl)-(1-phenylcyclopentyl)methyl]ethanamine

N-[(4-bromothiophen-3-yl)-(1-phenylcyclopentyl)methyl]ethanamine (PubChem CID 79590126) has the molecular formula C18H22BrNS and a molecular weight of 364.35 g/mol. Its IUPAC name is N-[(4-bromothiophen-3-yl)-(1-phenylcyclopentyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromothiophen-3-yl)-(1-phenylcyclopentyl)methyl]ethanamine
PubChem CID79590126
Molecular FormulaC18H22BrNS
Molecular Weight364.35 g/mol
Exact Mass363.07
IUPAC NameN-[(4-bromothiophen-3-yl)-(1-phenylcyclopentyl)methyl]ethanamine
SMILESCCNC(c1cscc1Br)C1(c2ccccc2)CCCC1
InChIInChI=1S/C18H22BrNS/c1-2-20-17(15-12-21-13-16(15)19)18(10-6-7-11-18)14-8-4-3-5-9-14/h3-5,8-9,12-13,17,20H,2,6-7,10-11H2,1H3
InChIKeyXEFJWMAICNBSSM-UHFFFAOYSA-N
XLogP5.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.35
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromothiophen-3-yl)-N-methyl-1-(1-phenylcyclopropyl)methanamine
CID 79596313
N-[(3-bromo-2-fluorophenyl)-(1-phenylcyclopropyl)methyl]ethanamine
CID 106645549
N-[(5-methylthiophen-2-yl)-(1-phenylcyclopropyl)methyl]ethanamine
CID 55128692
N-[(2,3-dichlorophenyl)-(1-phenylcyclopropyl)methyl]ethanamine
CID 63417837
N-[(2,4-dimethylphenyl)-(1-phenylcyclopropyl)methyl]ethanamine
CID 63417836
N-ethyl-1-(1-phenylcyclopentyl)propan-1-amine
CID 63079391
N-[(5-bromo-4-methylthiophen-2-yl)-(1-phenylcyclopropyl)methyl]ethanamine
CID 79991864
N-[3,4-dihydro-2H-pyran-6-yl-(1-phenylcyclopentyl)methyl]ethanamine
CID 102647409
N-[(4-bromothiophen-3-yl)-phenylmethyl]propan-1-amine
CID 79595968
2-(3-bromothiophen-2-yl)-N-ethyl-1-(1-phenylcyclobutyl)ethanamine
CID 63417620
N-[[1-(4-chlorophenyl)cyclobutyl]-(2-methylphenyl)methyl]ethanamine
CID 143871078
N-ethyl-1-(1-phenylcyclobutyl)-2-thiophen-3-ylethanamine
CID 63078464

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-3-yl)-(1-phenylcyclopentyl)methyl]ethanamine?
The IUPAC name of N-[(4-bromothiophen-3-yl)-(1-phenylcyclopentyl)methyl]ethanamine (CID 79590126) is N-[(4-bromothiophen-3-yl)-(1-phenylcyclopentyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromothiophen-3-yl)-(1-phenylcyclopentyl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromothiophen-3-yl)-(1-phenylcyclopentyl)methyl]ethanamine is CCNC(c1cscc1Br)C1(c2ccccc2)CCCC1.
What is the InChIKey of N-[(4-bromothiophen-3-yl)-(1-phenylcyclopentyl)methyl]ethanamine?
The InChIKey is XEFJWMAICNBSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNS/c1-2-20-17(15-12-21-13-16(15)19)18(10-6-7-11-18)14-8-4-3-5-9-14/h3-5,8-9,12-13,17,20H,2,6-7,10-11H2,1H3.
What are the key properties of N-[(4-bromothiophen-3-yl)-(1-phenylcyclopentyl)methyl]ethanamine?
N-[(4-bromothiophen-3-yl)-(1-phenylcyclopentyl)methyl]ethanamine has a molecular weight of 364.35 g/mol, XLogP of 5.67, 5 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)-(1-phenylcyclopentyl)methyl]ethanamine is sourced from PubChem (CID 79590126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).