(4-ethoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanamine

C16H18FNO2 — CID 43474116

IUPAC(4-ethoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanamine
SMILESCCOc1ccc(C(N)c2ccc(OC)c(F)c2)cc1
InChIInChI=1S/C16H18FNO2/c1-3-20-13-7-4-11(5-8-13)16(18)12-6-9-15(19-2)14(17)10-12/h4-10,16H,3,18H2,1-2H3
InChIKeyJUJFFQSICZXRPG-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.28
Rot. Bonds5

About (4-ethoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanamine

(4-ethoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanamine (PubChem CID 43474116) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is (4-ethoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(4-ethoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanamine
PubChem CID43474116
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name(4-ethoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanamine
SMILESCCOc1ccc(C(N)c2ccc(OC)c(F)c2)cc1
InChIInChI=1S/C16H18FNO2/c1-3-20-13-7-4-11(5-8-13)16(18)12-6-9-15(19-2)14(17)10-12/h4-10,16H,3,18H2,1-2H3
InChIKeyJUJFFQSICZXRPG-UHFFFAOYSA-N
XLogP3.28
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethoxyphenyl)-(2,4,5-trifluorophenyl)methanamine
CID 103301574
(3-fluoro-4-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 62505966
(3,4-difluorophenyl)-(4-propoxyphenyl)methanamine
CID 62796286
(3-fluoro-4-methoxyphenyl)-(5-methoxy-3-pyridinyl)methanamine
CID 105026161
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
(3-bromophenyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 43474225
(1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 171220989
(4-chloro-3-fluorophenyl)-(3,4-dimethoxyphenyl)methanamine
CID 107992884
(2S)-2-ethoxy-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 95001932
2-ethoxy-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 53276116
(1R)-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 97052813

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanamine?
The IUPAC name of (4-ethoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanamine (CID 43474116) is (4-ethoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanamine.
What is the SMILES notation for (4-ethoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanamine?
The canonical SMILES for (4-ethoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanamine is CCOc1ccc(C(N)c2ccc(OC)c(F)c2)cc1.
What is the InChIKey of (4-ethoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanamine?
The InChIKey is JUJFFQSICZXRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-3-20-13-7-4-11(5-8-13)16(18)12-6-9-15(19-2)14(17)10-12/h4-10,16H,3,18H2,1-2H3.
What are the key properties of (4-ethoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanamine?
(4-ethoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanamine has a molecular weight of 275.32 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanamine is sourced from PubChem (CID 43474116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).