(1S)-1-[5-chloro-2-[(2,6-dichlorophenyl)methoxy]phenyl]ethanamine

C15H14Cl3NO — CID 63485360

IUPAC(1S)-1-[5-chloro-2-[(2,6-dichlorophenyl)methoxy]phenyl]ethanamine
SMILESC[C@H](N)c1cc(Cl)ccc1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C15H14Cl3NO/c1-9(19)11-7-10(16)5-6-15(11)20-8-12-13(17)3-2-4-14(12)18/h2-7,9H,8,19H2,1H3/t9-/m0/s1
InChIKeyBRMPWIRGONKQJW-VIFPVBQESA-N
MW330.64 g/mol
LogP5.25
Rot. Bonds4

About (1S)-1-[5-chloro-2-[(2,6-dichlorophenyl)methoxy]phenyl]ethanamine

(1S)-1-[5-chloro-2-[(2,6-dichlorophenyl)methoxy]phenyl]ethanamine (PubChem CID 63485360) has the molecular formula C15H14Cl3NO and a molecular weight of 330.64 g/mol. Its IUPAC name is (1S)-1-[5-chloro-2-[(2,6-dichlorophenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[5-chloro-2-[(2,6-dichlorophenyl)methoxy]phenyl]ethanamine
PubChem CID63485360
Molecular FormulaC15H14Cl3NO
Molecular Weight330.64 g/mol
Exact Mass329.01
IUPAC Name(1S)-1-[5-chloro-2-[(2,6-dichlorophenyl)methoxy]phenyl]ethanamine
SMILESC[C@H](N)c1cc(Cl)ccc1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C15H14Cl3NO/c1-9(19)11-7-10(16)5-6-15(11)20-8-12-13(17)3-2-4-14(12)18/h2-7,9H,8,19H2,1H3/t9-/m0/s1
InChIKeyBRMPWIRGONKQJW-VIFPVBQESA-N
XLogP5.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.64
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-chloro-2-[(2,5-dichlorophenyl)methoxy]phenyl]ethanamine
CID 65318702
1-[5-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethanamine
CID 62370026
1-[5-chloro-2-[(3,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 63499414
(1S)-1-[2-[(3-bromophenyl)methoxy]-5-chlorophenyl]ethanamine
CID 78932662
(1S)-1-[5-chloro-2-[(2-methylphenyl)methoxy]phenyl]ethanamine
CID 63366646
(1R)-1-[2-[(2,6-dichlorophenyl)methoxy]-4-fluorophenyl]ethanamine
CID 63368063
1-[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]ethanamine
CID 62073872
1-[5-chloro-2-(pyridin-2-ylmethoxy)phenyl]ethanamine
CID 55031302
1-[5-chloro-2-[(4-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine
CID 107879124
1-[5-chloro-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanamine
CID 63992738
(1S)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-chlorophenyl]ethanamine
CID 63366655
(1R)-1-[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]ethanamine
CID 78933101

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-chloro-2-[(2,6-dichlorophenyl)methoxy]phenyl]ethanamine?
The IUPAC name of (1S)-1-[5-chloro-2-[(2,6-dichlorophenyl)methoxy]phenyl]ethanamine (CID 63485360) is (1S)-1-[5-chloro-2-[(2,6-dichlorophenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[5-chloro-2-[(2,6-dichlorophenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1S)-1-[5-chloro-2-[(2,6-dichlorophenyl)methoxy]phenyl]ethanamine is C[C@H](N)c1cc(Cl)ccc1OCc1c(Cl)cccc1Cl.
What is the InChIKey of (1S)-1-[5-chloro-2-[(2,6-dichlorophenyl)methoxy]phenyl]ethanamine?
The InChIKey is BRMPWIRGONKQJW-VIFPVBQESA-N. The full InChI is InChI=1S/C15H14Cl3NO/c1-9(19)11-7-10(16)5-6-15(11)20-8-12-13(17)3-2-4-14(12)18/h2-7,9H,8,19H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-[5-chloro-2-[(2,6-dichlorophenyl)methoxy]phenyl]ethanamine?
(1S)-1-[5-chloro-2-[(2,6-dichlorophenyl)methoxy]phenyl]ethanamine has a molecular weight of 330.64 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-chloro-2-[(2,6-dichlorophenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 63485360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).