N-[(5-bromo-4-chlorothiophen-2-yl)-cycloheptylmethyl]propan-1-amine

C15H23BrClNS — CID 80532063

IUPACN-[(5-bromo-4-chlorothiophen-2-yl)-cycloheptylmethyl]propan-1-amine
SMILESCCCNC(c1cc(Cl)c(Br)s1)C1CCCCCC1
InChIInChI=1S/C15H23BrClNS/c1-2-9-18-14(11-7-5-3-4-6-8-11)13-10-12(17)15(16)19-13/h10-11,14,18H,2-9H2,1H3
InChIKeyFKFKGQQGRUAFAO-UHFFFAOYSA-N
MW364.78 g/mol
LogP6.18
Rot. Bonds5

About N-[(5-bromo-4-chlorothiophen-2-yl)-cycloheptylmethyl]propan-1-amine

N-[(5-bromo-4-chlorothiophen-2-yl)-cycloheptylmethyl]propan-1-amine (PubChem CID 80532063) has the molecular formula C15H23BrClNS and a molecular weight of 364.78 g/mol. Its IUPAC name is N-[(5-bromo-4-chlorothiophen-2-yl)-cycloheptylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-bromo-4-chlorothiophen-2-yl)-cycloheptylmethyl]propan-1-amine
PubChem CID80532063
Molecular FormulaC15H23BrClNS
Molecular Weight364.78 g/mol
Exact Mass363.04
IUPAC NameN-[(5-bromo-4-chlorothiophen-2-yl)-cycloheptylmethyl]propan-1-amine
SMILESCCCNC(c1cc(Cl)c(Br)s1)C1CCCCCC1
InChIInChI=1S/C15H23BrClNS/c1-2-9-18-14(11-7-5-3-4-6-8-11)13-10-12(17)15(16)19-13/h10-11,14,18H,2-9H2,1H3
InChIKeyFKFKGQQGRUAFAO-UHFFFAOYSA-N
XLogP6.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.78
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-4-chlorothiophen-2-yl)-(oxan-3-yl)methyl]propan-1-amine
CID 80531999
N-[1-(5-bromo-4-chlorothiophen-2-yl)-2-cycloheptylethyl]propan-1-amine
CID 114457743
1-(5-bromo-4-chlorothiophen-2-yl)-1-cyclooctyl-N-methylmethanamine
CID 80531200
1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopropyl-N-propylpropan-1-amine
CID 83155187
N-[(5-bromothiophen-2-yl)-cyclopentylmethyl]propan-1-amine
CID 61104757
1-(5-bromo-4-chlorothiophen-2-yl)-3-cyclohexyl-N-propylpropan-1-amine
CID 80532261
N-[cyclohexyl-(3,5-dichlorophenyl)methyl]propan-1-amine
CID 114981576
N-[cyclohexyl-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine
CID 43497782
N-[1-benzothiophen-2-yl(cycloheptyl)methyl]propan-1-amine
CID 105027903
N-[(4,5-dibromothiophen-2-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 104990742
N-[cycloheptyl(thieno[3,2-b]thiophen-5-yl)methyl]propan-1-amine
CID 105027664
N-[(5-chlorothiophen-2-yl)-cyclobutylmethyl]propan-1-amine
CID 43497051

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-4-chlorothiophen-2-yl)-cycloheptylmethyl]propan-1-amine?
The IUPAC name of N-[(5-bromo-4-chlorothiophen-2-yl)-cycloheptylmethyl]propan-1-amine (CID 80532063) is N-[(5-bromo-4-chlorothiophen-2-yl)-cycloheptylmethyl]propan-1-amine.
What is the SMILES notation for N-[(5-bromo-4-chlorothiophen-2-yl)-cycloheptylmethyl]propan-1-amine?
The canonical SMILES for N-[(5-bromo-4-chlorothiophen-2-yl)-cycloheptylmethyl]propan-1-amine is CCCNC(c1cc(Cl)c(Br)s1)C1CCCCCC1.
What is the InChIKey of N-[(5-bromo-4-chlorothiophen-2-yl)-cycloheptylmethyl]propan-1-amine?
The InChIKey is FKFKGQQGRUAFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrClNS/c1-2-9-18-14(11-7-5-3-4-6-8-11)13-10-12(17)15(16)19-13/h10-11,14,18H,2-9H2,1H3.
What are the key properties of N-[(5-bromo-4-chlorothiophen-2-yl)-cycloheptylmethyl]propan-1-amine?
N-[(5-bromo-4-chlorothiophen-2-yl)-cycloheptylmethyl]propan-1-amine has a molecular weight of 364.78 g/mol, XLogP of 6.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-4-chlorothiophen-2-yl)-cycloheptylmethyl]propan-1-amine is sourced from PubChem (CID 80532063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).