N-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopentyl-1-thiophen-2-ylmethanamine

C17H19BrFNS — CID 63452373

IUPACN-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopentyl-1-thiophen-2-ylmethanamine
SMILESFc1ccc(Br)c(CNC(c2cccs2)C2CCCC2)c1
InChIInChI=1S/C17H19BrFNS/c18-15-8-7-14(19)10-13(15)11-20-17(12-4-1-2-5-12)16-6-3-9-21-16/h3,6-10,12,17,20H,1-2,4-5,11H2
InChIKeyLTIHOIAAZNDTOF-UHFFFAOYSA-N
MW368.32 g/mol
LogP5.67
Rot. Bonds5

About N-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopentyl-1-thiophen-2-ylmethanamine

N-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopentyl-1-thiophen-2-ylmethanamine (PubChem CID 63452373) has the molecular formula C17H19BrFNS and a molecular weight of 368.32 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopentyl-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopentyl-1-thiophen-2-ylmethanamine
PubChem CID63452373
Molecular FormulaC17H19BrFNS
Molecular Weight368.32 g/mol
Exact Mass367.04
IUPAC NameN-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopentyl-1-thiophen-2-ylmethanamine
SMILESFc1ccc(Br)c(CNC(c2cccs2)C2CCCC2)c1
InChIInChI=1S/C17H19BrFNS/c18-15-8-7-14(19)10-13(15)11-20-17(12-4-1-2-5-12)16-6-3-9-21-16/h3,6-10,12,17,20H,1-2,4-5,11H2
InChIKeyLTIHOIAAZNDTOF-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 ≤ 500368.32
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-N-[(3,5-difluorophenyl)methyl]-1-thiophen-2-ylmethanamine
CID 103851306
1-cyclopentyl-N-[(2-fluorophenyl)methyl]-1-thiophen-2-ylmethanamine
CID 43740648
N-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-1-(4-fluorophenyl)methanamine
CID 61015900
N-benzyl-1-cyclopentyl-1-thiophen-2-ylmethanamine
CID 43740592
N-[(5-bromofuran-2-yl)methyl]-1-cyclopentyl-1-thiophen-2-ylmethanamine
CID 43740577
2-[[[cyclopentyl(thiophen-2-yl)methyl]amino]methyl]-4-methylphenol
CID 63324944
4-bromo-N-[cyclopentyl(thiophen-2-yl)methyl]-2,5-difluoroaniline
CID 107609695
1-cyclopentyl-N-(furan-2-ylmethyl)-1-thiophen-2-ylmethanamine
CID 43740567
4-[[[cyclopentyl(thiophen-2-yl)methyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380194
1-cyclopentyl-N-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylmethanamine
CID 60858994
1-cyclopentyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
CID 62741804
2-(2-bromo-5-fluorophenyl)-1-cycloheptyl-N-methylethanamine
CID 65398871

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopentyl-1-thiophen-2-ylmethanamine?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopentyl-1-thiophen-2-ylmethanamine (CID 63452373) is N-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopentyl-1-thiophen-2-ylmethanamine.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopentyl-1-thiophen-2-ylmethanamine?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopentyl-1-thiophen-2-ylmethanamine is Fc1ccc(Br)c(CNC(c2cccs2)C2CCCC2)c1.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopentyl-1-thiophen-2-ylmethanamine?
The InChIKey is LTIHOIAAZNDTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFNS/c18-15-8-7-14(19)10-13(15)11-20-17(12-4-1-2-5-12)16-6-3-9-21-16/h3,6-10,12,17,20H,1-2,4-5,11H2.
What are the key properties of N-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopentyl-1-thiophen-2-ylmethanamine?
N-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopentyl-1-thiophen-2-ylmethanamine has a molecular weight of 368.32 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-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopentyl-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 63452373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).