N-[[4-[(5-bromothiophen-2-yl)methoxy]phenyl]methyl]cyclopropanamine

C15H16BrNOS — CID 60882902

IUPACN-[[4-[(5-bromothiophen-2-yl)methoxy]phenyl]methyl]cyclopropanamine
SMILESBrc1ccc(COc2ccc(CNC3CC3)cc2)s1
InChIInChI=1S/C15H16BrNOS/c16-15-8-7-14(19-15)10-18-13-5-1-11(2-6-13)9-17-12-3-4-12/h1-2,5-8,12,17H,3-4,9-10H2
InChIKeyLQCIPUMVGDHFAG-UHFFFAOYSA-N
MW338.27 g/mol
LogP4.34
Rot. Bonds6

About N-[[4-[(5-bromothiophen-2-yl)methoxy]phenyl]methyl]cyclopropanamine

N-[[4-[(5-bromothiophen-2-yl)methoxy]phenyl]methyl]cyclopropanamine (PubChem CID 60882902) has the molecular formula C15H16BrNOS and a molecular weight of 338.27 g/mol. Its IUPAC name is N-[[4-[(5-bromothiophen-2-yl)methoxy]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[(5-bromothiophen-2-yl)methoxy]phenyl]methyl]cyclopropanamine
PubChem CID60882902
Molecular FormulaC15H16BrNOS
Molecular Weight338.27 g/mol
Exact Mass337.01
IUPAC NameN-[[4-[(5-bromothiophen-2-yl)methoxy]phenyl]methyl]cyclopropanamine
SMILESBrc1ccc(COc2ccc(CNC3CC3)cc2)s1
InChIInChI=1S/C15H16BrNOS/c16-15-8-7-14(19-15)10-18-13-5-1-11(2-6-13)9-17-12-3-4-12/h1-2,5-8,12,17H,3-4,9-10H2
InChIKeyLQCIPUMVGDHFAG-UHFFFAOYSA-N
XLogP4.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-[(5-bromothiophen-2-yl)methoxy]phenyl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[4-[(5-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine
CID 107688094
4-N-[(5-bromothiophen-2-yl)methyl]cyclohexane-1,4-diamine
CID 62314221
N-[(5-bromothiophen-2-yl)methyl]cyclododecanamine
CID 63452326
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclopentanamine
CID 961311
N-[[2-[(5-bromothiophen-2-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine
CID 107696450
N-[[4-[(4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62450351
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 4720086
N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62454139
[4-[(5-bromothiophen-2-yl)methylamino]cyclohexyl]methanol
CID 103753139
N-[(5-bromothiophen-2-yl)methyl]-4-ethylcyclohexan-1-amine
CID 63452327
N-[[4-[(2-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 39366709
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclooctanamine;hydrochloride
CID 17331809

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(5-bromothiophen-2-yl)methoxy]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[(5-bromothiophen-2-yl)methoxy]phenyl]methyl]cyclopropanamine (CID 60882902) is N-[[4-[(5-bromothiophen-2-yl)methoxy]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[(5-bromothiophen-2-yl)methoxy]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[(5-bromothiophen-2-yl)methoxy]phenyl]methyl]cyclopropanamine is Brc1ccc(COc2ccc(CNC3CC3)cc2)s1.
What is the InChIKey of N-[[4-[(5-bromothiophen-2-yl)methoxy]phenyl]methyl]cyclopropanamine?
The InChIKey is LQCIPUMVGDHFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNOS/c16-15-8-7-14(19-15)10-18-13-5-1-11(2-6-13)9-17-12-3-4-12/h1-2,5-8,12,17H,3-4,9-10H2.
What are the key properties of N-[[4-[(5-bromothiophen-2-yl)methoxy]phenyl]methyl]cyclopropanamine?
N-[[4-[(5-bromothiophen-2-yl)methoxy]phenyl]methyl]cyclopropanamine has a molecular weight of 338.27 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(5-bromothiophen-2-yl)methoxy]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 60882902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).