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

Name: (1R)-1-[4-bromo-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₅H₁₄BrClFNO — CID 103046500

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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

SMILESC[C@@H](N)c1ccc(Br)cc1OCc1cc(Cl)ccc1F

InChIInChI=1S/C15H14BrClFNO/c1-9(19)13-4-2-11(16)7-15(13)20-8-10-6-12(17)3-5-14(10)18/h2-7,9H,8,19H2,1H3/t9-/m1/s1

InChIKeyDVRWAAGROZCWTR-SECBINFHSA-N

MW358.64 g/mol

LogP4.84

Rot. Bonds4

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

(1R)-1-[4-bromo-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine (PubChem CID 103046500) has the molecular formula C₁₅H₁₄BrClFNO and a molecular weight of 358.64 g/mol. Its IUPAC name is (1R)-1-[4-bromo-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name	(1R)-1-[4-bromo-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine
PubChem CID	103046500
Molecular Formula	C₁₅H₁₄BrClFNO
Molecular Weight	358.64 g/mol
Exact Mass	356.99
IUPAC Name	(1R)-1-[4-bromo-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine
SMILES	C[C@@H](N)c1ccc(Br)cc1OCc1cc(Cl)ccc1F
InChI	InChI=1S/C15H14BrClFNO/c1-9(19)13-4-2-11(16)7-15(13)20-8-10-6-12(17)3-5-14(10)18/h2-7,9H,8,19H2,1H3/t9-/m1/s1
InChIKey	DVRWAAGROZCWTR-SECBINFHSA-N
XLogP	4.84
TPSA	35.25 Å²
H-Bond Donors	1
H-Bond Acceptors	2
Rotatable Bonds	4
Heavy Atoms	20
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.64
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-bromo-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine?

The IUPAC name of (1R)-1-[4-bromo-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine (CID 103046500) is (1R)-1-[4-bromo-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine.

What is the SMILES notation for (1R)-1-[4-bromo-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine?

The canonical SMILES for (1R)-1-[4-bromo-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine is C[C@@H](N)c1ccc(Br)cc1OCc1cc(Cl)ccc1F.

What is the InChIKey of (1R)-1-[4-bromo-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine?

The InChIKey is DVRWAAGROZCWTR-SECBINFHSA-N. The full InChI is InChI=1S/C15H14BrClFNO/c1-9(19)13-4-2-11(16)7-15(13)20-8-10-6-12(17)3-5-14(10)18/h2-7,9H,8,19H2,1H3/t9-/m1/s1.

What are the key properties of (1R)-1-[4-bromo-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine?

(1R)-1-[4-bromo-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine has a molecular weight of 358.64 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-1-[4-bromo-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 103046500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 103046500 — identifiers, structure, computed properties (public domain)

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