N-[2-(4-chlorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine

C15H18ClNO — CID 55097343

IUPACN-[2-(4-chlorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine
SMILESCCC(NCCc1ccc(Cl)cc1)c1ccco1
InChIInChI=1S/C15H18ClNO/c1-2-14(15-4-3-11-18-15)17-10-9-12-5-7-13(16)8-6-12/h3-8,11,14,17H,2,9-10H2,1H3
InChIKeyZXIMSKKEVDFBLI-UHFFFAOYSA-N
MW263.77 g/mol
LogP4.22
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine

N-[2-(4-chlorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine (PubChem CID 55097343) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine
PubChem CID55097343
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine
SMILESCCC(NCCc1ccc(Cl)cc1)c1ccco1
InChIInChI=1S/C15H18ClNO/c1-2-14(15-4-3-11-18-15)17-10-9-12-5-7-13(16)8-6-12/h3-8,11,14,17H,2,9-10H2,1H3
InChIKeyZXIMSKKEVDFBLI-UHFFFAOYSA-N
XLogP4.22
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N'-[1-(furan-2-yl)propyl]butane-1,4-diamine
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1-(furan-2-yl)-N-(2-methoxyethyl)propan-1-amine
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N-[2-(cyclopenten-1-yl)ethyl]-1-(furan-2-yl)propan-1-amine
CID 106169372
4-chloro-2-fluoro-N-[1-(furan-2-yl)propyl]aniline
CID 62632711
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(furan-2-yl)ethanamine
CID 103039972
N-[2-(5-chloro-2-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine
CID 103048611
N-(2-cyclopentylethyl)-1-(furan-2-yl)propan-1-amine
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2-[1-(furan-2-yl)propylamino]ethylurea
CID 83109971

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine (CID 55097343) is N-[2-(4-chlorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine is CCC(NCCc1ccc(Cl)cc1)c1ccco1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine?
The InChIKey is ZXIMSKKEVDFBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO/c1-2-14(15-4-3-11-18-15)17-10-9-12-5-7-13(16)8-6-12/h3-8,11,14,17H,2,9-10H2,1H3.
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine?
N-[2-(4-chlorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine has a molecular weight of 263.77 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine is sourced from PubChem (CID 55097343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).