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

C17H19ClFNO2 — CID 170878343

IUPAC3-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propan-1-amine
SMILESCOc1cc(CCCN)ccc1OCc1c(F)cccc1Cl
InChIInChI=1S/C17H19ClFNO2/c1-21-17-10-12(4-3-9-20)7-8-16(17)22-11-13-14(18)5-2-6-15(13)19/h2,5-8,10H,3-4,9,11,20H2,1H3
InChIKeyNYTWOEFVTNQZKE-UHFFFAOYSA-N
MW323.80 g/mol
LogP3.96
Rot. Bonds7

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

3-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propan-1-amine (PubChem CID 170878343) has the molecular formula C17H19ClFNO2 and a molecular weight of 323.80 g/mol. Its IUPAC name is 3-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propan-1-amine.

Molecular Properties

Compound Name3-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propan-1-amine
PubChem CID170878343
Molecular FormulaC17H19ClFNO2
Molecular Weight323.80 g/mol
Exact Mass323.11
IUPAC Name3-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propan-1-amine
SMILESCOc1cc(CCCN)ccc1OCc1c(F)cccc1Cl
InChIInChI=1S/C17H19ClFNO2/c1-21-17-10-12(4-3-9-20)7-8-16(17)22-11-13-14(18)5-2-6-15(13)19/h2,5-8,10H,3-4,9,11,20H2,1H3
InChIKeyNYTWOEFVTNQZKE-UHFFFAOYSA-N
XLogP3.96
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-2-[[5-(chloromethyl)-2-methoxyphenoxy]methyl]-3-fluorobenzene
CID 61496156
2-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propan-1-ol
CID 170892579
2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
CID 82051709
[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-[3-(methylazaniumyl)propyl]azanium dichloride
CID 44666467
2-[3-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]propylamino]ethanol
CID 17214251
3-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxyaniline
CID 61496182
N-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-methylbutan-1-amine
CID 17210575
3-[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]propan-1-amine
CID 170879087
3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]propan-1-amine
CID 170867828
N-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]cycloheptanamine;hydrochloride
CID 17294391
4-[2-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethyl]benzenesulfonamide
CID 4719664
3-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-amine
CID 170878344

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propan-1-amine?
The IUPAC name of 3-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propan-1-amine (CID 170878343) is 3-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propan-1-amine.
What is the SMILES notation for 3-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propan-1-amine?
The canonical SMILES for 3-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propan-1-amine is COc1cc(CCCN)ccc1OCc1c(F)cccc1Cl.
What is the InChIKey of 3-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propan-1-amine?
The InChIKey is NYTWOEFVTNQZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO2/c1-21-17-10-12(4-3-9-20)7-8-16(17)22-11-13-14(18)5-2-6-15(13)19/h2,5-8,10H,3-4,9,11,20H2,1H3.
What are the key properties of 3-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propan-1-amine?
3-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propan-1-amine has a molecular weight of 323.80 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propan-1-amine is sourced from PubChem (CID 170878343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).