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

C17H20ClNO — CID 106693341

IUPACN-[(5-chlorofuran-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)o1)C1CC1c1ccccc1
InChIInChI=1S/C17H20ClNO/c1-2-10-19-17(15-8-9-16(18)20-15)14-11-13(14)12-6-4-3-5-7-12/h3-9,13-14,17,19H,2,10-11H2,1H3
InChIKeyREIWEDVOJQMUJH-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.78
Rot. Bonds6

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

N-[(5-chlorofuran-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine (PubChem CID 106693341) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is N-[(5-chlorofuran-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-chlorofuran-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine
PubChem CID106693341
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC NameN-[(5-chlorofuran-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)o1)C1CC1c1ccccc1
InChIInChI=1S/C17H20ClNO/c1-2-10-19-17(15-8-9-16(18)20-15)14-11-13(14)12-6-4-3-5-7-12/h3-9,13-14,17,19H,2,10-11H2,1H3
InChIKeyREIWEDVOJQMUJH-UHFFFAOYSA-N
XLogP4.78
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 116517442
N-[(5-chlorofuran-2-yl)-(2-ethylcyclohexyl)methyl]propan-1-amine
CID 106692125
N-[(5-methylpyrimidin-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 116517868
N-[(1,5-dimethylpyrazol-4-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 105188964
N-[(5-methylpyrazin-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 105189004
N-[(3-iodophenyl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 105052524
N-[(5-fluoro-3-pyridinyl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 115804971
N-[3-bicyclo[3.1.0]hexanyl-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 105052478
N-[2,2-diethoxy-1-(2-phenylcyclopropyl)ethyl]propan-1-amine
CID 116517734
1-(2-phenylcyclopropyl)-N-propyloctan-1-amine
CID 115832271
N-[(2-chloro-6-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 105052491
N-[(5-chlorofuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]propan-1-amine
CID 106692530

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorofuran-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine?
The IUPAC name of N-[(5-chlorofuran-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine (CID 106693341) is N-[(5-chlorofuran-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-chlorofuran-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-chlorofuran-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine is CCCNC(c1ccc(Cl)o1)C1CC1c1ccccc1.
What is the InChIKey of N-[(5-chlorofuran-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine?
The InChIKey is REIWEDVOJQMUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-2-10-19-17(15-8-9-16(18)20-15)14-11-13(14)12-6-4-3-5-7-12/h3-9,13-14,17,19H,2,10-11H2,1H3.
What are the key properties of N-[(5-chlorofuran-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine?
N-[(5-chlorofuran-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine has a molecular weight of 289.81 g/mol, XLogP of 4.78, 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-phenylcyclopropyl)methyl]propan-1-amine is sourced from PubChem (CID 106693341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).