2-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propan-1-ol

C17H19ClFNO3 — CID 170892579

IUPAC2-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propan-1-ol
SMILESCOc1cc(CC(N)CO)ccc1OCc1c(F)cccc1Cl
InChIInChI=1S/C17H19ClFNO3/c1-22-17-8-11(7-12(20)9-21)5-6-16(17)23-10-13-14(18)3-2-4-15(13)19/h2-6,8,12,21H,7,9-10,20H2,1H3
InChIKeyPBTZSASWPAAVAG-UHFFFAOYSA-N
MW339.79 g/mol
LogP2.93
Rot. Bonds7

About 2-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propan-1-ol

2-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propan-1-ol (PubChem CID 170892579) has the molecular formula C17H19ClFNO3 and a molecular weight of 339.79 g/mol. Its IUPAC name is 2-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propan-1-ol.

Molecular Properties

Compound Name2-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propan-1-ol
PubChem CID170892579
Molecular FormulaC17H19ClFNO3
Molecular Weight339.79 g/mol
Exact Mass339.10
IUPAC Name2-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propan-1-ol
SMILESCOc1cc(CC(N)CO)ccc1OCc1c(F)cccc1Cl
InChIInChI=1S/C17H19ClFNO3/c1-22-17-8-11(7-12(20)9-21)5-6-16(17)23-10-13-14(18)3-2-4-15(13)19/h2-6,8,12,21H,7,9-10,20H2,1H3
InChIKeyPBTZSASWPAAVAG-UHFFFAOYSA-N
XLogP2.93
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.79
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol
CID 4719354
3-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propan-1-amine
CID 170878343
2-[3-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]propylamino]ethanol
CID 17214251
N-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-methylbutan-1-amine
CID 17210575
1-chloro-2-[[5-(chloromethyl)-2-methoxyphenoxy]methyl]-3-fluorobenzene
CID 61496156
1-(2,6-dichlorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine
CID 62603392
[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-[3-(methylazaniumyl)propyl]azanium dichloride
CID 44666467
4-[[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]methyl]benzoic acid
CID 4719760
3-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxyaniline
CID 61496182
(2S)-2-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol
CID 28804612
2-[[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol;hydrochloride
CID 17293782
N-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]cycloheptanamine;hydrochloride
CID 17294391

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propan-1-ol?
The IUPAC name of 2-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propan-1-ol (CID 170892579) is 2-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propan-1-ol.
What is the SMILES notation for 2-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propan-1-ol?
The canonical SMILES for 2-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propan-1-ol is COc1cc(CC(N)CO)ccc1OCc1c(F)cccc1Cl.
What is the InChIKey of 2-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propan-1-ol?
The InChIKey is PBTZSASWPAAVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO3/c1-22-17-8-11(7-12(20)9-21)5-6-16(17)23-10-13-14(18)3-2-4-15(13)19/h2-6,8,12,21H,7,9-10,20H2,1H3.
What are the key properties of 2-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propan-1-ol?
2-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propan-1-ol has a molecular weight of 339.79 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propan-1-ol is sourced from PubChem (CID 170892579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).