1-(4-chlorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine

C14H16ClNO — CID 81403869

IUPAC1-(4-chlorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine
SMILESCC(N[C@H](C)c1ccco1)c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClNO/c1-10(12-5-7-13(15)8-6-12)16-11(2)14-4-3-9-17-14/h3-11,16H,1-2H3/t10?,11-/m1/s1
InChIKeyLIUGXWVJVWNEPW-RRKGBCIJSA-N
MW249.74 g/mol
LogP4.34
Rot. Bonds4

About 1-(4-chlorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine

1-(4-chlorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine (PubChem CID 81403869) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine
PubChem CID81403869
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC Name1-(4-chlorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine
SMILESCC(N[C@H](C)c1ccco1)c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClNO/c1-10(12-5-7-13(15)8-6-12)16-11(2)14-4-3-9-17-14/h3-11,16H,1-2H3/t10?,11-/m1/s1
InChIKeyLIUGXWVJVWNEPW-RRKGBCIJSA-N
XLogP4.34
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-[1-(furan-2-yl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81350046
(1R)-N-[1-(furan-2-yl)ethyl]-1-phenylethanamine
CID 81351264
N-[1-(furan-2-yl)ethyl]-1-phenylethanamine
CID 43177136
(1S)-N-[1-(furan-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 81371559
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine
CID 81352005
N-[1-(3,5-dimethylphenyl)ethyl]-1-(furan-2-yl)ethanamine
CID 81301586
N-[(1R)-1-(furan-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 81403686
(1S)-N-[1-(furan-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 81405518
1-(3-bromo-4-fluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine
CID 81403303
2-[1-(4-chlorophenyl)ethyl]furan
CID 21387728
5-[1-[[(1S)-1-(furan-2-yl)ethyl]amino]ethyl]benzene-1,3-diol
CID 107706935
N-[(1S)-1-(furan-2-yl)ethyl]-1-(4-nitrophenyl)ethanamine
CID 81403263

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine?
The IUPAC name of 1-(4-chlorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine (CID 81403869) is 1-(4-chlorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine is CC(N[C@H](C)c1ccco1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine?
The InChIKey is LIUGXWVJVWNEPW-RRKGBCIJSA-N. The full InChI is InChI=1S/C14H16ClNO/c1-10(12-5-7-13(15)8-6-12)16-11(2)14-4-3-9-17-14/h3-11,16H,1-2H3/t10?,11-/m1/s1.
What are the key properties of 1-(4-chlorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine?
1-(4-chlorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine has a molecular weight of 249.74 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine is sourced from PubChem (CID 81403869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).