N-[(5-chlorofuran-2-yl)-(3-cyclobutylphenyl)methyl]ethanamine

C17H20ClNO — CID 106693362

IUPACN-[(5-chlorofuran-2-yl)-(3-cyclobutylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(C2CCC2)c1)c1ccc(Cl)o1
InChIInChI=1S/C17H20ClNO/c1-2-19-17(15-9-10-16(18)20-15)14-8-4-7-13(11-14)12-5-3-6-12/h4,7-12,17,19H,2-3,5-6H2,1H3
InChIKeyRSCPPTWGZQNFRF-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.90
Rot. Bonds5

About N-[(5-chlorofuran-2-yl)-(3-cyclobutylphenyl)methyl]ethanamine

N-[(5-chlorofuran-2-yl)-(3-cyclobutylphenyl)methyl]ethanamine (PubChem CID 106693362) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is N-[(5-chlorofuran-2-yl)-(3-cyclobutylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-chlorofuran-2-yl)-(3-cyclobutylphenyl)methyl]ethanamine
PubChem CID106693362
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC NameN-[(5-chlorofuran-2-yl)-(3-cyclobutylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(C2CCC2)c1)c1ccc(Cl)o1
InChIInChI=1S/C17H20ClNO/c1-2-19-17(15-9-10-16(18)20-15)14-8-4-7-13(11-14)12-5-3-6-12/h4,7-12,17,19H,2-3,5-6H2,1H3
InChIKeyRSCPPTWGZQNFRF-UHFFFAOYSA-N
XLogP4.90
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chlorofuran-2-yl)-(3-methylphenyl)methyl]ethanamine
CID 106691457
N-[(3-cyclobutylphenyl)-(4-methylphenyl)methyl]ethanamine
CID 114602617
1-(3-cyclobutylphenyl)-N-ethylethanamine
CID 114602707
N-[(5-chlorofuran-2-yl)-(3-ethoxyphenyl)methyl]ethanamine
CID 106692823
N-[(3-cyclobutylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]ethanamine
CID 114603414
N-[(3-cyclobutylphenyl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 105189609
N-[(5-bromofuran-2-yl)-(4-cyclobutylphenyl)methyl]ethanamine
CID 105045025
1-(3-cyclobutylphenyl)-N-ethyl-2-propylpentan-1-amine
CID 105053791
N-[(3-cyclobutylphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107191450
1-(3-cyclobutylphenyl)-2-cyclopentyl-N-ethylethanamine
CID 105053655
1-(3-cyclobutylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 114603052
1-(3-cyclobutylphenyl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 114603256

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorofuran-2-yl)-(3-cyclobutylphenyl)methyl]ethanamine?
The IUPAC name of N-[(5-chlorofuran-2-yl)-(3-cyclobutylphenyl)methyl]ethanamine (CID 106693362) is N-[(5-chlorofuran-2-yl)-(3-cyclobutylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-chlorofuran-2-yl)-(3-cyclobutylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(5-chlorofuran-2-yl)-(3-cyclobutylphenyl)methyl]ethanamine is CCNC(c1cccc(C2CCC2)c1)c1ccc(Cl)o1.
What is the InChIKey of N-[(5-chlorofuran-2-yl)-(3-cyclobutylphenyl)methyl]ethanamine?
The InChIKey is RSCPPTWGZQNFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-2-19-17(15-9-10-16(18)20-15)14-8-4-7-13(11-14)12-5-3-6-12/h4,7-12,17,19H,2-3,5-6H2,1H3.
What are the key properties of N-[(5-chlorofuran-2-yl)-(3-cyclobutylphenyl)methyl]ethanamine?
N-[(5-chlorofuran-2-yl)-(3-cyclobutylphenyl)methyl]ethanamine has a molecular weight of 289.81 g/mol, XLogP of 4.90, 5 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)-(3-cyclobutylphenyl)methyl]ethanamine is sourced from PubChem (CID 106693362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).