2-[(4-chlorophenyl)methoxy]-2-(furan-2-yl)ethanamine

C13H14ClNO2 — CID 65124780

IUPAC2-[(4-chlorophenyl)methoxy]-2-(furan-2-yl)ethanamine
SMILESNCC(OCc1ccc(Cl)cc1)c1ccco1
InChIInChI=1S/C13H14ClNO2/c14-11-5-3-10(4-6-11)9-17-13(8-15)12-2-1-7-16-12/h1-7,13H,8-9,15H2
InChIKeyJMMZHCZSCUCKLV-UHFFFAOYSA-N
MW251.71 g/mol
LogP3.15
Rot. Bonds5

About 2-[(4-chlorophenyl)methoxy]-2-(furan-2-yl)ethanamine

2-[(4-chlorophenyl)methoxy]-2-(furan-2-yl)ethanamine (PubChem CID 65124780) has the molecular formula C13H14ClNO2 and a molecular weight of 251.71 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methoxy]-2-(furan-2-yl)ethanamine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methoxy]-2-(furan-2-yl)ethanamine
PubChem CID65124780
Molecular FormulaC13H14ClNO2
Molecular Weight251.71 g/mol
Exact Mass251.07
IUPAC Name2-[(4-chlorophenyl)methoxy]-2-(furan-2-yl)ethanamine
SMILESNCC(OCc1ccc(Cl)cc1)c1ccco1
InChIInChI=1S/C13H14ClNO2/c14-11-5-3-10(4-6-11)9-17-13(8-15)12-2-1-7-16-12/h1-7,13H,8-9,15H2
InChIKeyJMMZHCZSCUCKLV-UHFFFAOYSA-N
XLogP3.15
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)methoxy]-2-(4-methylphenyl)ethanamine
CID 65124981
2-(furan-2-yl)-2-(oxetan-3-yloxy)ethanamine
CID 102605609
1-[(3-chlorophenyl)methoxy]-1-(furan-2-yl)butan-2-amine
CID 65124380
1-[(4-chlorophenyl)methoxy]ethanol
CID 134444684
2-(4-chlorophenyl)-2-phenylmethoxyethanol
CID 15497795
2-[(3-chlorophenyl)methoxy]-2-(2-fluorophenyl)ethanamine
CID 65124766
2-(4-fluorophenyl)-2-(furan-2-ylmethoxy)ethanamine
CID 55014972
2-(furan-2-yl)-2-(4-methylsulfanylphenoxy)ethanamine
CID 63649487
2-(1-phenylmethoxyprop-2-enyl)furan
CID 46944298
2-[1-(4-chlorophenyl)ethyl]furan
CID 21387728
N-[2-(4-chlorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine
CID 55097343
2-(2-bromophenyl)-2-[(4-chlorophenyl)methoxy]-N-ethylethanamine
CID 65124744

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methoxy]-2-(furan-2-yl)ethanamine?
The IUPAC name of 2-[(4-chlorophenyl)methoxy]-2-(furan-2-yl)ethanamine (CID 65124780) is 2-[(4-chlorophenyl)methoxy]-2-(furan-2-yl)ethanamine.
What is the SMILES notation for 2-[(4-chlorophenyl)methoxy]-2-(furan-2-yl)ethanamine?
The canonical SMILES for 2-[(4-chlorophenyl)methoxy]-2-(furan-2-yl)ethanamine is NCC(OCc1ccc(Cl)cc1)c1ccco1.
What is the InChIKey of 2-[(4-chlorophenyl)methoxy]-2-(furan-2-yl)ethanamine?
The InChIKey is JMMZHCZSCUCKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2/c14-11-5-3-10(4-6-11)9-17-13(8-15)12-2-1-7-16-12/h1-7,13H,8-9,15H2.
What are the key properties of 2-[(4-chlorophenyl)methoxy]-2-(furan-2-yl)ethanamine?
2-[(4-chlorophenyl)methoxy]-2-(furan-2-yl)ethanamine has a molecular weight of 251.71 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methoxy]-2-(furan-2-yl)ethanamine is sourced from PubChem (CID 65124780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).