1-(3-chloro-5-fluoro-4-phenylmethoxyphenyl)ethanamine

C15H15ClFNO — CID 117448854

IUPAC1-(3-chloro-5-fluoro-4-phenylmethoxyphenyl)ethanamine
SMILESCC(N)c1cc(F)c(OCc2ccccc2)c(Cl)c1
InChIInChI=1S/C15H15ClFNO/c1-10(18)12-7-13(16)15(14(17)8-12)19-9-11-5-3-2-4-6-11/h2-8,10H,9,18H2,1H3
InChIKeyPZPHOTMPMVRYEN-UHFFFAOYSA-N
MW279.74 g/mol
LogP4.08
Rot. Bonds4

About 1-(3-chloro-5-fluoro-4-phenylmethoxyphenyl)ethanamine

1-(3-chloro-5-fluoro-4-phenylmethoxyphenyl)ethanamine (PubChem CID 117448854) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 1-(3-chloro-5-fluoro-4-phenylmethoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-chloro-5-fluoro-4-phenylmethoxyphenyl)ethanamine
PubChem CID117448854
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name1-(3-chloro-5-fluoro-4-phenylmethoxyphenyl)ethanamine
SMILESCC(N)c1cc(F)c(OCc2ccccc2)c(Cl)c1
InChIInChI=1S/C15H15ClFNO/c1-10(18)12-7-13(16)15(14(17)8-12)19-9-11-5-3-2-4-6-11/h2-8,10H,9,18H2,1H3
InChIKeyPZPHOTMPMVRYEN-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-fluoro-5-methyl-4-phenylmethoxyphenyl)ethanamine
CID 117402181
3-(3-chloro-5-fluoro-4-phenylmethoxyphenyl)propan-1-amine
CID 117474017
3-chloro-5-fluoro-4-phenylmethoxybenzonitrile
CID 117408938
1-(3,5-dichloro-2-phenylmethoxyphenyl)propan-2-amine
CID 60907532
1-chloro-5-fluoro-3-methyl-2-phenylmethoxybenzene
CID 164895451
1-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]ethanamine
CID 112693380
(1S)-1-[3-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanamine
CID 103037860
5-(chloromethyl)-1,3-difluoro-2-phenylmethoxybenzene
CID 79887883
(1S)-1-(2-fluoro-4-phenylmethoxyphenyl)ethanamine
CID 107718661
1-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 63937758
1,2,3,5-tetrafluoro-4-phenylmethoxybenzene
CID 167523745
1-fluoro-3,5-dimethyl-2-phenylmethoxybenzene
CID 90166919

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-fluoro-4-phenylmethoxyphenyl)ethanamine?
The IUPAC name of 1-(3-chloro-5-fluoro-4-phenylmethoxyphenyl)ethanamine (CID 117448854) is 1-(3-chloro-5-fluoro-4-phenylmethoxyphenyl)ethanamine.
What is the SMILES notation for 1-(3-chloro-5-fluoro-4-phenylmethoxyphenyl)ethanamine?
The canonical SMILES for 1-(3-chloro-5-fluoro-4-phenylmethoxyphenyl)ethanamine is CC(N)c1cc(F)c(OCc2ccccc2)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-5-fluoro-4-phenylmethoxyphenyl)ethanamine?
The InChIKey is PZPHOTMPMVRYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-10(18)12-7-13(16)15(14(17)8-12)19-9-11-5-3-2-4-6-11/h2-8,10H,9,18H2,1H3.
What are the key properties of 1-(3-chloro-5-fluoro-4-phenylmethoxyphenyl)ethanamine?
1-(3-chloro-5-fluoro-4-phenylmethoxyphenyl)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-5-fluoro-4-phenylmethoxyphenyl)ethanamine is sourced from PubChem (CID 117448854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).