1-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]ethanamine

C15H15ClFNO — CID 112693380

IUPAC1-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]ethanamine
SMILESCC(N)c1ccc(OCc2ccc(F)cc2)c(Cl)c1
InChIInChI=1S/C15H15ClFNO/c1-10(18)12-4-7-15(14(16)8-12)19-9-11-2-5-13(17)6-3-11/h2-8,10H,9,18H2,1H3
InChIKeyKWXKRBVXPIGKKV-UHFFFAOYSA-N
MW279.74 g/mol
LogP4.08
Rot. Bonds4

About 1-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]ethanamine

1-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]ethanamine (PubChem CID 112693380) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 1-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]ethanamine
PubChem CID112693380
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name1-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]ethanamine
SMILESCC(N)c1ccc(OCc2ccc(F)cc2)c(Cl)c1
InChIInChI=1S/C15H15ClFNO/c1-10(18)12-4-7-15(14(16)8-12)19-9-11-2-5-13(17)6-3-11/h2-8,10H,9,18H2,1H3
InChIKeyKWXKRBVXPIGKKV-UHFFFAOYSA-N
XLogP4.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-chloro-4-[(4-ethylphenyl)methoxy]phenyl]ethanamine
CID 115649377
1-[3-chloro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 62911731
(1R)-1-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
CID 102615294
1-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 63937758
(1R)-1-(3-chloro-4-ethoxyphenyl)ethanamine
CID 51396913
(1S)-1-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]ethanamine
CID 113389810
CID 88897804
CID 88897804
[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]borane
CID 91869279
(1R)-1-[3-chloro-4-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine
CID 113389763
(1S)-1-[3-chloro-4-(furan-2-ylmethoxy)phenyl]ethanamine
CID 78937702
(1S)-1-[3-chloro-4-(4-methoxybutoxy)phenyl]ethanamine
CID 113436828
1-[3-chloro-4-(2-propan-2-yloxyethoxy)phenyl]ethanamine
CID 62912402

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]ethanamine?
The IUPAC name of 1-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]ethanamine (CID 112693380) is 1-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 1-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for 1-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]ethanamine is CC(N)c1ccc(OCc2ccc(F)cc2)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]ethanamine?
The InChIKey is KWXKRBVXPIGKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-10(18)12-4-7-15(14(16)8-12)19-9-11-2-5-13(17)6-3-11/h2-8,10H,9,18H2,1H3.
What are the key properties of 1-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]ethanamine?
1-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]ethanamine has a molecular weight of 279.74 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 112693380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).