(1R)-1-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine

C15H14Cl2FNO — CID 102615294

IUPAC(1R)-1-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(OCc2cc(F)ccc2Cl)c(Cl)c1
InChIInChI=1S/C15H14Cl2FNO/c1-9(19)10-2-5-15(14(17)7-10)20-8-11-6-12(18)3-4-13(11)16/h2-7,9H,8,19H2,1H3/t9-/m1/s1
InChIKeyMWYHSFDKTVFSMV-SECBINFHSA-N
MW314.19 g/mol
LogP4.73
Rot. Bonds4

About (1R)-1-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine

(1R)-1-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine (PubChem CID 102615294) has the molecular formula C15H14Cl2FNO and a molecular weight of 314.19 g/mol. Its IUPAC name is (1R)-1-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
PubChem CID102615294
Molecular FormulaC15H14Cl2FNO
Molecular Weight314.19 g/mol
Exact Mass313.04
IUPAC Name(1R)-1-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(OCc2cc(F)ccc2Cl)c(Cl)c1
InChIInChI=1S/C15H14Cl2FNO/c1-9(19)10-2-5-15(14(17)7-10)20-8-11-6-12(18)3-4-13(11)16/h2-7,9H,8,19H2,1H3/t9-/m1/s1
InChIKeyMWYHSFDKTVFSMV-SECBINFHSA-N
XLogP4.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R)-1-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]ethanamine
CID 112693380
1-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 63937758
(1R)-1-[3-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
CID 102615235
(1R)-1-[5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
CID 102615238
(1S)-1-[4-[(2-chloro-5-fluorophenyl)methoxy]-3-methoxyphenyl]ethanol
CID 102616497
[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]methanamine
CID 102615201
1-[3-chloro-4-[(4-ethylphenyl)methoxy]phenyl]ethanamine
CID 115649377
(1R)-1-[2-[(2-chloro-5-fluorophenyl)methoxy]-5-fluorophenyl]ethanol
CID 102616518
(1S)-1-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]ethanamine
CID 78930423
(1R)-1-(3-chloro-4-ethoxyphenyl)ethanamine
CID 51396913
2-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
CID 102619496
3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]benzenecarbothioamide
CID 102616119

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine?
The IUPAC name of (1R)-1-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine (CID 102615294) is (1R)-1-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine is C[C@@H](N)c1ccc(OCc2cc(F)ccc2Cl)c(Cl)c1.
What is the InChIKey of (1R)-1-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine?
The InChIKey is MWYHSFDKTVFSMV-SECBINFHSA-N. The full InChI is InChI=1S/C15H14Cl2FNO/c1-9(19)10-2-5-15(14(17)7-10)20-8-11-6-12(18)3-4-13(11)16/h2-7,9H,8,19H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine?
(1R)-1-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine has a molecular weight of 314.19 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 102615294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).