1-[5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]propan-2-amine

C16H16Cl2FNO — CID 115984032

IUPAC1-[5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]propan-2-amine
SMILESCC(N)Cc1cc(Cl)ccc1OCc1cccc(F)c1Cl
InChIInChI=1S/C16H16Cl2FNO/c1-10(20)7-12-8-13(17)5-6-15(12)21-9-11-3-2-4-14(19)16(11)18/h2-6,8,10H,7,9,20H2,1H3
InChIKeyMYTUFVYVAVIGMD-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.60
Rot. Bonds5

About 1-[5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]propan-2-amine

1-[5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]propan-2-amine (PubChem CID 115984032) has the molecular formula C16H16Cl2FNO and a molecular weight of 328.21 g/mol. Its IUPAC name is 1-[5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]propan-2-amine
PubChem CID115984032
Molecular FormulaC16H16Cl2FNO
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC Name1-[5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]propan-2-amine
SMILESCC(N)Cc1cc(Cl)ccc1OCc1cccc(F)c1Cl
InChIInChI=1S/C16H16Cl2FNO/c1-10(20)7-12-8-13(17)5-6-15(12)21-9-11-3-2-4-14(19)16(11)18/h2-6,8,10H,7,9,20H2,1H3
InChIKeyMYTUFVYVAVIGMD-UHFFFAOYSA-N
XLogP4.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]propan-2-amine
CID 62196739
(1R)-1-[5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanol
CID 103954685
1-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine
CID 114857545
1-[2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine
CID 112651722
1-[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]propan-2-amine
CID 63326290
1-[5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 114857471
1-[(2-chloro-3-fluorophenyl)methoxy]-2-(chloromethyl)-4-fluorobenzene
CID 107698873
3-[(2-chloro-3-fluorophenyl)methoxy]-4-methoxyaniline
CID 112651662
5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]benzaldehyde
CID 112652333
1-[5-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 63421430
1-[5-chloro-2-(3,4-difluorophenoxy)phenyl]propan-2-amine
CID 114863110
[4-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 107686266

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]propan-2-amine (CID 115984032) is 1-[5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]propan-2-amine is CC(N)Cc1cc(Cl)ccc1OCc1cccc(F)c1Cl.
What is the InChIKey of 1-[5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]propan-2-amine?
The InChIKey is MYTUFVYVAVIGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2FNO/c1-10(20)7-12-8-13(17)5-6-15(12)21-9-11-3-2-4-14(19)16(11)18/h2-6,8,10H,7,9,20H2,1H3.
What are the key properties of 1-[5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]propan-2-amine?
1-[5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]propan-2-amine has a molecular weight of 328.21 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]propan-2-amine is sourced from PubChem (CID 115984032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).