[4-[(3-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine

C15H15ClFNO2 — CID 103037775

IUPAC[4-[(3-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
SMILESCOc1cc(CN)ccc1OCc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H15ClFNO2/c1-19-15-7-10(8-18)3-5-14(15)20-9-11-2-4-13(17)12(16)6-11/h2-7H,8-9,18H2,1H3
InChIKeyQFXDZRCKWCSJAP-UHFFFAOYSA-N
MW295.74 g/mol
LogP3.53
Rot. Bonds5

About [4-[(3-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine

[4-[(3-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine (PubChem CID 103037775) has the molecular formula C15H15ClFNO2 and a molecular weight of 295.74 g/mol. Its IUPAC name is [4-[(3-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[4-[(3-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
PubChem CID103037775
Molecular FormulaC15H15ClFNO2
Molecular Weight295.74 g/mol
Exact Mass295.08
IUPAC Name[4-[(3-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
SMILESCOc1cc(CN)ccc1OCc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H15ClFNO2/c1-19-15-7-10(8-18)3-5-14(15)20-9-11-2-4-13(17)12(16)6-11/h2-7H,8-9,18H2,1H3
InChIKeyQFXDZRCKWCSJAP-UHFFFAOYSA-N
XLogP3.53
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.74
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(benzyloxy)-4-methoxybenzyl]-2-(4-chlorophenyl)ethanamine
CID 2169083
N'-{4-[(2-chloro-4-fluorobenzyl)oxy]-3-methoxybenzyl}-N,N-dimethylpropane-1,3-diamine
CID 2227356
N-{4-[(2-chlorobenzyl)oxy]-3-ethoxybenzyl}cyclopentanamine hydrochloride
CID 2980253
N-{4-[(2-fluorobenzyl)oxy]-3-methoxybenzyl}ethanamine hydrochloride
CID 6463673
N-{3-chloro-4-[(2-fluorobenzyl)oxy]-5-methoxybenzyl}-N-cyclopentylamine
CID 11948817
CID 11948820
CID 11948820
N-benzyl-N-{4-[(4-chlorobenzyl)oxy]-3-ethoxybenzyl}amine
CID 17271171
[4-[(3-Chlorophenyl)methoxy]phenyl]methanamine;hydrochloride
CID 76317228
[4-[(4-Chlorophenyl)methoxy]phenyl]methanamine;hydrochloride
CID 76320939
(E)-3-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylprop-2-en-1-amine;hydrochloride
CID 145978926
N-[4-(benzyloxy)-3-chloro-5-ethoxybenzyl]-2-methyl-1-propanamine
CID 2217233
N-[4-(benzyloxy)-3-chloro-5-ethoxybenzyl]ethanamine hydrochloride
CID 2959070

Frequently Asked Questions

What is the IUPAC name of [4-[(3-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine?
The IUPAC name of [4-[(3-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine (CID 103037775) is [4-[(3-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine.
What is the SMILES notation for [4-[(3-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine?
The canonical SMILES for [4-[(3-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine is COc1cc(CN)ccc1OCc1ccc(F)c(Cl)c1.
What is the InChIKey of [4-[(3-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine?
The InChIKey is QFXDZRCKWCSJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO2/c1-19-15-7-10(8-18)3-5-14(15)20-9-11-2-4-13(17)12(16)6-11/h2-7H,8-9,18H2,1H3.
What are the key properties of [4-[(3-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine?
[4-[(3-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine has a molecular weight of 295.74 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine is sourced from PubChem (CID 103037775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).