N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,2-dimethylcyclopropan-1-amine

C10H13BrClNS — CID 102835259

IUPACN-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,2-dimethylcyclopropan-1-amine
SMILESCC1(C)CC1NCc1cc(Br)c(Cl)s1
InChIInChI=1S/C10H13BrClNS/c1-10(2)4-8(10)13-5-6-3-7(11)9(12)14-6/h3,8,13H,4-5H2,1-2H3
InChIKeyCNQCIUHCTMPLMT-UHFFFAOYSA-N
MW294.65 g/mol
LogP4.05
Rot. Bonds3

About N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,2-dimethylcyclopropan-1-amine

N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,2-dimethylcyclopropan-1-amine (PubChem CID 102835259) has the molecular formula C10H13BrClNS and a molecular weight of 294.65 g/mol. Its IUPAC name is N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,2-dimethylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,2-dimethylcyclopropan-1-amine
PubChem CID102835259
Molecular FormulaC10H13BrClNS
Molecular Weight294.65 g/mol
Exact Mass292.96
IUPAC NameN-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,2-dimethylcyclopropan-1-amine
SMILESCC1(C)CC1NCc1cc(Br)c(Cl)s1
InChIInChI=1S/C10H13BrClNS/c1-10(2)4-8(10)13-5-6-3-7(11)9(12)14-6/h3,8,13H,4-5H2,1-2H3
InChIKeyCNQCIUHCTMPLMT-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.65
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 102836459
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]cyclobutanamine
CID 102835424
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-methylazetidin-3-amine
CID 130679569
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]propan-2-amine
CID 102829960
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-ethylcyclobutan-1-amine
CID 102837609
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-butylpiperidin-4-amine
CID 102834010
4-bromo-3-[[(2,2-dimethylcyclopropyl)amino]methyl]aniline
CID 115297673
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 102833135
1-(4-bromo-5-chlorothiophen-2-yl)-N-cyclopentyloxymethanamine
CID 102837218
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-methylsulfanylpropan-1-amine
CID 102837449
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 102831002
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 102835162

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,2-dimethylcyclopropan-1-amine?
The IUPAC name of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,2-dimethylcyclopropan-1-amine (CID 102835259) is N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,2-dimethylcyclopropan-1-amine.
What is the SMILES notation for N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,2-dimethylcyclopropan-1-amine?
The canonical SMILES for N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,2-dimethylcyclopropan-1-amine is CC1(C)CC1NCc1cc(Br)c(Cl)s1.
What is the InChIKey of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,2-dimethylcyclopropan-1-amine?
The InChIKey is CNQCIUHCTMPLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClNS/c1-10(2)4-8(10)13-5-6-3-7(11)9(12)14-6/h3,8,13H,4-5H2,1-2H3.
What are the key properties of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,2-dimethylcyclopropan-1-amine?
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,2-dimethylcyclopropan-1-amine has a molecular weight of 294.65 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,2-dimethylcyclopropan-1-amine is sourced from PubChem (CID 102835259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).