(1S)-1-[3-chloro-4-(furan-2-ylmethoxy)phenyl]ethanamine

C13H14ClNO2 — CID 78937702

IUPAC(1S)-1-[3-chloro-4-(furan-2-ylmethoxy)phenyl]ethanamine
SMILESC[C@H](N)c1ccc(OCc2ccco2)c(Cl)c1
InChIInChI=1S/C13H14ClNO2/c1-9(15)10-4-5-13(12(14)7-10)17-8-11-3-2-6-16-11/h2-7,9H,8,15H2,1H3/t9-/m0/s1
InChIKeyOCUFJKDWUPYQIL-VIFPVBQESA-N
MW251.71 g/mol
LogP3.53
Rot. Bonds4

About (1S)-1-[3-chloro-4-(furan-2-ylmethoxy)phenyl]ethanamine

(1S)-1-[3-chloro-4-(furan-2-ylmethoxy)phenyl]ethanamine (PubChem CID 78937702) has the molecular formula C13H14ClNO2 and a molecular weight of 251.71 g/mol. Its IUPAC name is (1S)-1-[3-chloro-4-(furan-2-ylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-chloro-4-(furan-2-ylmethoxy)phenyl]ethanamine
PubChem CID78937702
Molecular FormulaC13H14ClNO2
Molecular Weight251.71 g/mol
Exact Mass251.07
IUPAC Name(1S)-1-[3-chloro-4-(furan-2-ylmethoxy)phenyl]ethanamine
SMILESC[C@H](N)c1ccc(OCc2ccco2)c(Cl)c1
InChIInChI=1S/C13H14ClNO2/c1-9(15)10-4-5-13(12(14)7-10)17-8-11-3-2-6-16-11/h2-7,9H,8,15H2,1H3/t9-/m0/s1
InChIKeyOCUFJKDWUPYQIL-VIFPVBQESA-N
XLogP3.53
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[3-chloro-4-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine
CID 113389763
(1R)-1-(3-chloro-4-ethoxyphenyl)ethanamine
CID 51396913
1-[3-chloro-4-[(4-ethylphenyl)methoxy]phenyl]ethanamine
CID 115649377
1-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 63937758
(1S)-1-[3-chloro-4-(4-methoxybutoxy)phenyl]ethanamine
CID 113436828
1-[3-chloro-4-(2-propan-2-yloxyethoxy)phenyl]ethanamine
CID 62912402
1-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]ethanamine
CID 112693380
1-[4-[(4-bromothiophen-2-yl)methoxy]-3-chlorophenyl]ethanamine
CID 113389706
1-(3-chloro-4-hexoxyphenyl)ethanamine
CID 55130353
1-[3-chloro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 62911731
(1R)-1-[3-chloro-4-(3-phenylpropoxy)phenyl]ethanamine
CID 63369916
(1S)-1-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]ethanamine
CID 113389810

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-chloro-4-(furan-2-ylmethoxy)phenyl]ethanamine?
The IUPAC name of (1S)-1-[3-chloro-4-(furan-2-ylmethoxy)phenyl]ethanamine (CID 78937702) is (1S)-1-[3-chloro-4-(furan-2-ylmethoxy)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[3-chloro-4-(furan-2-ylmethoxy)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[3-chloro-4-(furan-2-ylmethoxy)phenyl]ethanamine is C[C@H](N)c1ccc(OCc2ccco2)c(Cl)c1.
What is the InChIKey of (1S)-1-[3-chloro-4-(furan-2-ylmethoxy)phenyl]ethanamine?
The InChIKey is OCUFJKDWUPYQIL-VIFPVBQESA-N. The full InChI is InChI=1S/C13H14ClNO2/c1-9(15)10-4-5-13(12(14)7-10)17-8-11-3-2-6-16-11/h2-7,9H,8,15H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-[3-chloro-4-(furan-2-ylmethoxy)phenyl]ethanamine?
(1S)-1-[3-chloro-4-(furan-2-ylmethoxy)phenyl]ethanamine has a molecular weight of 251.71 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-chloro-4-(furan-2-ylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 78937702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).