N-[[5-(4-bromo-2-methylphenyl)thiophen-3-yl]methyl]cyclopropanamine

C15H16BrNS — CID 84605204

IUPACN-[[5-(4-bromo-2-methylphenyl)thiophen-3-yl]methyl]cyclopropanamine
SMILESCc1cc(Br)ccc1-c1cc(CNC2CC2)cs1
InChIInChI=1S/C15H16BrNS/c1-10-6-12(16)2-5-14(10)15-7-11(9-18-15)8-17-13-3-4-13/h2,5-7,9,13,17H,3-4,8H2,1H3
InChIKeyOJXRHBJYYTWCBD-UHFFFAOYSA-N
MW322.27 g/mol
LogP4.74
Rot. Bonds4

About N-[[5-(4-bromo-2-methylphenyl)thiophen-3-yl]methyl]cyclopropanamine

N-[[5-(4-bromo-2-methylphenyl)thiophen-3-yl]methyl]cyclopropanamine (PubChem CID 84605204) has the molecular formula C15H16BrNS and a molecular weight of 322.27 g/mol. Its IUPAC name is N-[[5-(4-bromo-2-methylphenyl)thiophen-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(4-bromo-2-methylphenyl)thiophen-3-yl]methyl]cyclopropanamine
PubChem CID84605204
Molecular FormulaC15H16BrNS
Molecular Weight322.27 g/mol
Exact Mass321.02
IUPAC NameN-[[5-(4-bromo-2-methylphenyl)thiophen-3-yl]methyl]cyclopropanamine
SMILESCc1cc(Br)ccc1-c1cc(CNC2CC2)cs1
InChIInChI=1S/C15H16BrNS/c1-10-6-12(16)2-5-14(10)15-7-11(9-18-15)8-17-13-3-4-13/h2,5-7,9,13,17H,3-4,8H2,1H3
InChIKeyOJXRHBJYYTWCBD-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.27
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-(4-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 62138702
N-[[4-(3,5-dichlorophenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 114879154
N-[[4-(4-bromo-2-chlorophenoxy)-3-methylphenyl]methyl]cyclopropanamine
CID 63553129
N-[[4-(4-fluoro-2-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66481803
N-[[4-(3,4-dimethylphenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66481812
N-[[4-(2,5-dichlorophenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66481414
N-[[4-(4-bromophenyl)sulfanylphenyl]methyl]cyclopropanamine
CID 55240005
N-[[4-(3,5-difluorophenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66479615
N-[[4-(4-chloro-2,5-dimethylphenyl)-3-fluorophenyl]methyl]cyclopropanamine
CID 81441214
N-[(5-bromothiophen-3-yl)methyl]cyclohexanamine
CID 43431948
N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]cyclohexanamine;hydrochloride
CID 17056388
N-[[3-fluoro-4-(3-methylthiophen-2-yl)phenyl]methyl]cyclopropanamine
CID 81447660

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromo-2-methylphenyl)thiophen-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(4-bromo-2-methylphenyl)thiophen-3-yl]methyl]cyclopropanamine (CID 84605204) is N-[[5-(4-bromo-2-methylphenyl)thiophen-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(4-bromo-2-methylphenyl)thiophen-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(4-bromo-2-methylphenyl)thiophen-3-yl]methyl]cyclopropanamine is Cc1cc(Br)ccc1-c1cc(CNC2CC2)cs1.
What is the InChIKey of N-[[5-(4-bromo-2-methylphenyl)thiophen-3-yl]methyl]cyclopropanamine?
The InChIKey is OJXRHBJYYTWCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNS/c1-10-6-12(16)2-5-14(10)15-7-11(9-18-15)8-17-13-3-4-13/h2,5-7,9,13,17H,3-4,8H2,1H3.
What are the key properties of N-[[5-(4-bromo-2-methylphenyl)thiophen-3-yl]methyl]cyclopropanamine?
N-[[5-(4-bromo-2-methylphenyl)thiophen-3-yl]methyl]cyclopropanamine has a molecular weight of 322.27 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-bromo-2-methylphenyl)thiophen-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 84605204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).