N-[(2,5-dichlorothiophen-3-yl)methyl]cyclohexanamine

C11H15Cl2NS — CID 107961487

IUPACN-[(2,5-dichlorothiophen-3-yl)methyl]cyclohexanamine
SMILESClc1cc(CNC2CCCCC2)c(Cl)s1
InChIInChI=1S/C11H15Cl2NS/c12-10-6-8(11(13)15-10)7-14-9-4-2-1-3-5-9/h6,9,14H,1-5,7H2
InChIKeyGVAUYMRMKDKHEU-UHFFFAOYSA-N
MW264.22 g/mol
LogP4.48
Rot. Bonds3

About N-[(2,5-dichlorothiophen-3-yl)methyl]cyclohexanamine

N-[(2,5-dichlorothiophen-3-yl)methyl]cyclohexanamine (PubChem CID 107961487) has the molecular formula C11H15Cl2NS and a molecular weight of 264.22 g/mol. Its IUPAC name is N-[(2,5-dichlorothiophen-3-yl)methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(2,5-dichlorothiophen-3-yl)methyl]cyclohexanamine
PubChem CID107961487
Molecular FormulaC11H15Cl2NS
Molecular Weight264.22 g/mol
Exact Mass263.03
IUPAC NameN-[(2,5-dichlorothiophen-3-yl)methyl]cyclohexanamine
SMILESClc1cc(CNC2CCCCC2)c(Cl)s1
InChIInChI=1S/C11H15Cl2NS/c12-10-6-8(11(13)15-10)7-14-9-4-2-1-3-5-9/h6,9,14H,1-5,7H2
InChIKeyGVAUYMRMKDKHEU-UHFFFAOYSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.22
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,5-dibromothiophen-3-yl)methyl]cycloheptanamine
CID 107961490
N-[(2,5-dichlorothiophen-3-yl)methyl]hydroxylamine
CID 131048910
N-[cyclooctyl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 65018310
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]cyclobutanamine
CID 102835424
2,4-dichloro-6-[(cyclononylamino)methyl]phenol
CID 90015699
N-[(2-chloro-4-fluorophenyl)methyl]cyclohexanamine
CID 28565044
N-[(4-methylthiophen-3-yl)methyl]cycloheptanamine
CID 79803205
N-[(4-chloro-2,5-difluorophenyl)methyl]cyclopentanamine
CID 82781872
(2,5-dichlorothiophen-3-yl)methylhydrazine;hydrochloride
CID 154577383
N-[(2-chloro-4,5-diethoxyphenyl)methyl]cyclooctanamine
CID 66532386
N-[(2,4,5-trimethoxyphenyl)methyl]cycloheptanamine
CID 787242
N-[(2-bromo-5-chlorophenyl)methyl]cyclopentanamine
CID 66158673

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorothiophen-3-yl)methyl]cyclohexanamine?
The IUPAC name of N-[(2,5-dichlorothiophen-3-yl)methyl]cyclohexanamine (CID 107961487) is N-[(2,5-dichlorothiophen-3-yl)methyl]cyclohexanamine.
What is the SMILES notation for N-[(2,5-dichlorothiophen-3-yl)methyl]cyclohexanamine?
The canonical SMILES for N-[(2,5-dichlorothiophen-3-yl)methyl]cyclohexanamine is Clc1cc(CNC2CCCCC2)c(Cl)s1.
What is the InChIKey of N-[(2,5-dichlorothiophen-3-yl)methyl]cyclohexanamine?
The InChIKey is GVAUYMRMKDKHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NS/c12-10-6-8(11(13)15-10)7-14-9-4-2-1-3-5-9/h6,9,14H,1-5,7H2.
What are the key properties of N-[(2,5-dichlorothiophen-3-yl)methyl]cyclohexanamine?
N-[(2,5-dichlorothiophen-3-yl)methyl]cyclohexanamine has a molecular weight of 264.22 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorothiophen-3-yl)methyl]cyclohexanamine is sourced from PubChem (CID 107961487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).