(4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanamine

C16H18FNO2 — CID 81283664

IUPAC(4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanamine
SMILESCOc1ccc(C(N)c2ccc(F)c(OC)c2)cc1C
InChIInChI=1S/C16H18FNO2/c1-10-8-11(5-7-14(10)19-2)16(18)12-4-6-13(17)15(9-12)20-3/h4-9,16H,18H2,1-3H3
InChIKeyMLYWPRJGLSFPJG-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.20
Rot. Bonds4

About (4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanamine

(4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanamine (PubChem CID 81283664) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is (4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanamine.

Molecular Properties

Compound Name(4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanamine
PubChem CID81283664
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name(4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanamine
SMILESCOc1ccc(C(N)c2ccc(F)c(OC)c2)cc1C
InChIInChI=1S/C16H18FNO2/c1-10-8-11(5-7-14(10)19-2)16(18)12-4-6-13(17)15(9-12)20-3/h4-9,16H,18H2,1-3H3
InChIKeyMLYWPRJGLSFPJG-UHFFFAOYSA-N
XLogP3.20
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxy-3-methylphenyl)-(4-methylphenyl)methanamine
CID 43379645
(3-chloro-4-methoxyphenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 55164032
(4-fluoro-3-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 115851839
(4-fluoro-3,5-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine
CID 65298951
(2,3-difluorophenyl)-(4-methoxy-3-methylphenyl)methanamine
CID 62650016
(4-fluoro-3-methoxyphenyl)-(5-methylthiophen-2-yl)methanamine
CID 81283235
(2,4-difluorophenyl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 81283015
(2,5-dibromophenyl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 81283090
2,3-dihydro-1,4-benzodioxin-6-yl-(4-fluoro-3-methoxyphenyl)methanamine
CID 81288243
(3,4-dimethoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62514449
(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 82814367
(4-methoxy-3-methylphenyl)-(5-methyl-3-pyridinyl)methanamine
CID 113297303

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanamine?
The IUPAC name of (4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanamine (CID 81283664) is (4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanamine.
What is the SMILES notation for (4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanamine?
The canonical SMILES for (4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanamine is COc1ccc(C(N)c2ccc(F)c(OC)c2)cc1C.
What is the InChIKey of (4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanamine?
The InChIKey is MLYWPRJGLSFPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-10-8-11(5-7-14(10)19-2)16(18)12-4-6-13(17)15(9-12)20-3/h4-9,16H,18H2,1-3H3.
What are the key properties of (4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanamine?
(4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanamine has a molecular weight of 275.32 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanamine is sourced from PubChem (CID 81283664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).