N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine

C17H22ClNOS — CID 63995263

IUPACN-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(NC(c2ccco2)c2ccc(Cl)s2)C(C)C1
InChIInChI=1S/C17H22ClNOS/c1-11-5-6-13(12(2)10-11)19-17(14-4-3-9-20-14)15-7-8-16(18)21-15/h3-4,7-9,11-13,17,19H,5-6,10H2,1-2H3
InChIKeyDGJFBNNKSJXHBR-UHFFFAOYSA-N
MW323.89 g/mol
LogP5.50
Rot. Bonds4

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

N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine (PubChem CID 63995263) has the molecular formula C17H22ClNOS and a molecular weight of 323.89 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine
PubChem CID63995263
Molecular FormulaC17H22ClNOS
Molecular Weight323.89 g/mol
Exact Mass323.11
IUPAC NameN-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(NC(c2ccco2)c2ccc(Cl)s2)C(C)C1
InChIInChI=1S/C17H22ClNOS/c1-11-5-6-13(12(2)10-11)19-17(14-4-3-9-20-14)15-7-8-16(18)21-15/h3-4,7-9,11-13,17,19H,5-6,10H2,1-2H3
InChIKeyDGJFBNNKSJXHBR-UHFFFAOYSA-N
XLogP5.50
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.89
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine with MolForge

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Related Compounds

N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2,4-dimethylcyclohexan-1-amine
CID 63996037
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]cyclopentanamine
CID 43756508
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]cyclohexanamine
CID 43756023
[2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]cyclohexyl]methanol
CID 106359817
[2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]cyclopentyl]methanol
CID 106359565
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-cyclopentylethanamine
CID 63450559
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-1,3-dimethylpiperidin-4-amine
CID 114503172
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]hexan-3-amine
CID 62117806
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]octan-1-amine
CID 115566785
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-4-methylpiperazin-1-amine
CID 83008954
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]but-3-yn-2-amine
CID 114415106
1-(5-chlorothiophen-2-yl)-N-[(1,1-dioxothiolan-2-yl)methyl]-1-(furan-2-yl)methanamine
CID 81043163

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine (CID 63995263) is N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine is CC1CCC(NC(c2ccco2)c2ccc(Cl)s2)C(C)C1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine?
The InChIKey is DGJFBNNKSJXHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNOS/c1-11-5-6-13(12(2)10-11)19-17(14-4-3-9-20-14)15-7-8-16(18)21-15/h3-4,7-9,11-13,17,19H,5-6,10H2,1-2H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine?
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine has a molecular weight of 323.89 g/mol, XLogP of 5.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 63995263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).