N-[(5-chlorofuran-2-yl)-(2-ethylcyclohexyl)methyl]propan-1-amine

C16H26ClNO — CID 106692125

IUPACN-[(5-chlorofuran-2-yl)-(2-ethylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)o1)C1CCCCC1CC
InChIInChI=1S/C16H26ClNO/c1-3-11-18-16(14-9-10-15(17)19-14)13-8-6-5-7-12(13)4-2/h9-10,12-13,16,18H,3-8,11H2,1-2H3
InChIKeyWIWKFZQJBJIFDZ-UHFFFAOYSA-N
MW283.84 g/mol
LogP5.19
Rot. Bonds6

About N-[(5-chlorofuran-2-yl)-(2-ethylcyclohexyl)methyl]propan-1-amine

N-[(5-chlorofuran-2-yl)-(2-ethylcyclohexyl)methyl]propan-1-amine (PubChem CID 106692125) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is N-[(5-chlorofuran-2-yl)-(2-ethylcyclohexyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-chlorofuran-2-yl)-(2-ethylcyclohexyl)methyl]propan-1-amine
PubChem CID106692125
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC NameN-[(5-chlorofuran-2-yl)-(2-ethylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)o1)C1CCCCC1CC
InChIInChI=1S/C16H26ClNO/c1-3-11-18-16(14-9-10-15(17)19-14)13-8-6-5-7-12(13)4-2/h9-10,12-13,16,18H,3-8,11H2,1-2H3
InChIKeyWIWKFZQJBJIFDZ-UHFFFAOYSA-N
XLogP5.19
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.84
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(5-chlorofuran-2-yl)-(2-ethylcyclohexyl)methyl]propan-1-amine with MolForge

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Related Compounds

N-[(5-chlorofuran-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 106693341
N-[(2-chloro-4-methylphenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine
CID 106857704
N-[(4-chloro-3-methylphenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine
CID 115862665
N-[(2,6-difluorophenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine
CID 79515623
N-[(2-ethylcyclohexyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 63861829
N-[(5-chlorofuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]propan-1-amine
CID 106692530
N-[(5-chlorofuran-2-yl)-(3-methylsulfonylcyclohexyl)methyl]propan-1-amine
CID 106692659
N-[(2-ethylcyclohexyl)-(6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 63861308
N-[(2,6-dimethyl-3-pyridinyl)-(2-ethylcyclohexyl)methyl]propan-1-amine
CID 105151132
N-[(2-ethylcyclohexyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine
CID 105151161
N-[(2-ethylcyclohexyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 115531056
N-[(2-ethylcyclohexyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine
CID 102952354

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorofuran-2-yl)-(2-ethylcyclohexyl)methyl]propan-1-amine?
The IUPAC name of N-[(5-chlorofuran-2-yl)-(2-ethylcyclohexyl)methyl]propan-1-amine (CID 106692125) is N-[(5-chlorofuran-2-yl)-(2-ethylcyclohexyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-chlorofuran-2-yl)-(2-ethylcyclohexyl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-chlorofuran-2-yl)-(2-ethylcyclohexyl)methyl]propan-1-amine is CCCNC(c1ccc(Cl)o1)C1CCCCC1CC.
What is the InChIKey of N-[(5-chlorofuran-2-yl)-(2-ethylcyclohexyl)methyl]propan-1-amine?
The InChIKey is WIWKFZQJBJIFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO/c1-3-11-18-16(14-9-10-15(17)19-14)13-8-6-5-7-12(13)4-2/h9-10,12-13,16,18H,3-8,11H2,1-2H3.
What are the key properties of N-[(5-chlorofuran-2-yl)-(2-ethylcyclohexyl)methyl]propan-1-amine?
N-[(5-chlorofuran-2-yl)-(2-ethylcyclohexyl)methyl]propan-1-amine has a molecular weight of 283.84 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorofuran-2-yl)-(2-ethylcyclohexyl)methyl]propan-1-amine is sourced from PubChem (CID 106692125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).