[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine

C15H16FNO2 — CID 20987842

IUPAC[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
SMILESCOc1cccc(CN)c1OCc1ccccc1F
InChIInChI=1S/C15H16FNO2/c1-18-14-8-4-6-11(9-17)15(14)19-10-12-5-2-3-7-13(12)16/h2-8H,9-10,17H2,1H3
InChIKeyPDKYDYZWZPPOTQ-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.87
Rot. Bonds5

About [2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine

[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine (PubChem CID 20987842) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is [2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
PubChem CID20987842
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
SMILESCOc1cccc(CN)c1OCc1ccccc1F
InChIInChI=1S/C15H16FNO2/c1-18-14-8-4-6-11(9-17)15(14)19-10-12-5-2-3-7-13(12)16/h2-8H,9-10,17H2,1H3
InChIKeyPDKYDYZWZPPOTQ-UHFFFAOYSA-N
XLogP2.87
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(2-chloro-3-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 115982692
[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanol
CID 2987070
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 4721447
1-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride
CID 17208035
[2-(1-benzothiophen-3-ylmethoxy)-3-methoxyphenyl]methanamine
CID 63743487
2-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethanol;hydrochloride
CID 2951461
[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-[(1S)-1-phenylethyl]azanium
CID 7135735
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291289
[2-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3-fluorophenyl]methanamine
CID 103172064
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 22680932
(NE)-N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 42302807
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]prop-2-en-1-amine;hydrochloride
CID 17291700

Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine?
The IUPAC name of [2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine (CID 20987842) is [2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine.
What is the SMILES notation for [2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine?
The canonical SMILES for [2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine is COc1cccc(CN)c1OCc1ccccc1F.
What is the InChIKey of [2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine?
The InChIKey is PDKYDYZWZPPOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-18-14-8-4-6-11(9-17)15(14)19-10-12-5-2-3-7-13(12)16/h2-8H,9-10,17H2,1H3.
What are the key properties of [2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine?
[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine has a molecular weight of 261.30 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine is sourced from PubChem (CID 20987842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).