N-[2-(2-chlorophenyl)-1-(2,3-dihydrofuran-5-yl)ethyl]propan-1-amine

C15H20ClNO — CID 102651394

IUPACN-[2-(2-chlorophenyl)-1-(2,3-dihydrofuran-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1Cl)C1=CCCO1
InChIInChI=1S/C15H20ClNO/c1-2-9-17-14(15-8-5-10-18-15)11-12-6-3-4-7-13(12)16/h3-4,6-8,14,17H,2,5,9-11H2,1H3
InChIKeyCGKWIZIMQPAOHT-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.55
Rot. Bonds6

About N-[2-(2-chlorophenyl)-1-(2,3-dihydrofuran-5-yl)ethyl]propan-1-amine

N-[2-(2-chlorophenyl)-1-(2,3-dihydrofuran-5-yl)ethyl]propan-1-amine (PubChem CID 102651394) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-1-(2,3-dihydrofuran-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-1-(2,3-dihydrofuran-5-yl)ethyl]propan-1-amine
PubChem CID102651394
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC NameN-[2-(2-chlorophenyl)-1-(2,3-dihydrofuran-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1Cl)C1=CCCO1
InChIInChI=1S/C15H20ClNO/c1-2-9-17-14(15-8-5-10-18-15)11-12-6-3-4-7-13(12)16/h3-4,6-8,14,17H,2,5,9-11H2,1H3
InChIKeyCGKWIZIMQPAOHT-UHFFFAOYSA-N
XLogP3.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,3-dihydrofuran-5-yl)-2-(2-methoxyphenyl)ethyl]propan-1-amine
CID 102651341
N-[2-(2-chlorophenyl)-1-(4-methylphenyl)ethyl]propan-1-amine
CID 43495095
N-[2-(2-chlorophenyl)-1-(4-iodophenyl)ethyl]propan-1-amine
CID 63528586
N-[1-(2,3-dihydrofuran-5-yl)-2-(3,5-dimethylphenyl)ethyl]propan-1-amine
CID 102651437
1-(2,3-dihydrofuran-5-yl)-N-propylhexan-1-amine
CID 102653741
1-(2,3-dihydrofuran-5-yl)-N',N'-dimethyl-N-propylethane-1,2-diamine
CID 102651881
N-[2-(2-chlorophenyl)-1-(2-iodophenyl)ethyl]propan-1-amine
CID 63527893
N-[2-(2-chlorophenyl)-1-thiophen-2-ylethyl]propan-1-amine
CID 43495939
N-[2-(2-chlorophenyl)-1-(3,5-dimethylphenyl)ethyl]propan-1-amine
CID 63415367
N-[1-(2-chloro-5-fluorophenyl)-2-(2-chlorophenyl)ethyl]propan-1-amine
CID 105394824
N-[2-(2-chlorophenyl)-1-(3,5-dibromophenyl)ethyl]propan-1-amine
CID 107973808
N-[2-(2-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]propan-1-amine
CID 63504146

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-1-(2,3-dihydrofuran-5-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-chlorophenyl)-1-(2,3-dihydrofuran-5-yl)ethyl]propan-1-amine (CID 102651394) is N-[2-(2-chlorophenyl)-1-(2,3-dihydrofuran-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-chlorophenyl)-1-(2,3-dihydrofuran-5-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-chlorophenyl)-1-(2,3-dihydrofuran-5-yl)ethyl]propan-1-amine is CCCNC(Cc1ccccc1Cl)C1=CCCO1.
What is the InChIKey of N-[2-(2-chlorophenyl)-1-(2,3-dihydrofuran-5-yl)ethyl]propan-1-amine?
The InChIKey is CGKWIZIMQPAOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-2-9-17-14(15-8-5-10-18-15)11-12-6-3-4-7-13(12)16/h3-4,6-8,14,17H,2,5,9-11H2,1H3.
What are the key properties of N-[2-(2-chlorophenyl)-1-(2,3-dihydrofuran-5-yl)ethyl]propan-1-amine?
N-[2-(2-chlorophenyl)-1-(2,3-dihydrofuran-5-yl)ethyl]propan-1-amine has a molecular weight of 265.78 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-1-(2,3-dihydrofuran-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 102651394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).