(4-fluorophenyl)-(3,4,5-trimethoxyphenyl)methanamine

C16H18FNO3 — CID 24688997

IUPAC(4-fluorophenyl)-(3,4,5-trimethoxyphenyl)methanamine
SMILESCOc1cc(C(N)c2ccc(F)cc2)cc(OC)c1OC
InChIInChI=1S/C16H18FNO3/c1-19-13-8-11(9-14(20-2)16(13)21-3)15(18)10-4-6-12(17)7-5-10/h4-9,15H,18H2,1-3H3
InChIKeyOSHDSCWLHQRHSB-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.90
Rot. Bonds5

About (4-fluorophenyl)-(3,4,5-trimethoxyphenyl)methanamine

(4-fluorophenyl)-(3,4,5-trimethoxyphenyl)methanamine (PubChem CID 24688997) has the molecular formula C16H18FNO3 and a molecular weight of 291.32 g/mol. Its IUPAC name is (4-fluorophenyl)-(3,4,5-trimethoxyphenyl)methanamine.

Molecular Properties

Compound Name(4-fluorophenyl)-(3,4,5-trimethoxyphenyl)methanamine
PubChem CID24688997
Molecular FormulaC16H18FNO3
Molecular Weight291.32 g/mol
Exact Mass291.13
IUPAC Name(4-fluorophenyl)-(3,4,5-trimethoxyphenyl)methanamine
SMILESCOc1cc(C(N)c2ccc(F)cc2)cc(OC)c1OC
InChIInChI=1S/C16H18FNO3/c1-19-13-8-11(9-14(20-2)16(13)21-3)15(18)10-4-6-12(17)7-5-10/h4-9,15H,18H2,1-3H3
InChIKeyOSHDSCWLHQRHSB-UHFFFAOYSA-N
XLogP2.90
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-3-methoxyphenyl)-(4-fluorophenyl)methanamine
CID 79701060
(4-fluorophenyl)-(2,3,4-trimethoxyphenyl)methanamine
CID 43589009
bis(4-fluorophenyl)methanamine
CID 10955039
furan-3-yl-(3,4,5-trimethoxyphenyl)methanamine
CID 115855557
5-(4-fluorophenyl)-1,2,3-trimethoxybenzene
CID 45156545
(4-methoxy-3,5-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine
CID 83044207
(4-fluoro-3,5-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine
CID 65298951
(3-chloro-4,5-dimethoxyphenyl)-(4-ethylphenyl)methanamine
CID 62542898
(1R)-2-fluoro-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 28820340
(5-bromo-4-fluoro-2-methoxyphenyl)-(4-fluorophenyl)methanamine
CID 103394484
(1S)-2,2,2-trifluoro-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 66512237
(5-fluoro-2-methoxyphenyl)-(4-methoxyphenyl)methanamine
CID 43122364

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(3,4,5-trimethoxyphenyl)methanamine?
The IUPAC name of (4-fluorophenyl)-(3,4,5-trimethoxyphenyl)methanamine (CID 24688997) is (4-fluorophenyl)-(3,4,5-trimethoxyphenyl)methanamine.
What is the SMILES notation for (4-fluorophenyl)-(3,4,5-trimethoxyphenyl)methanamine?
The canonical SMILES for (4-fluorophenyl)-(3,4,5-trimethoxyphenyl)methanamine is COc1cc(C(N)c2ccc(F)cc2)cc(OC)c1OC.
What is the InChIKey of (4-fluorophenyl)-(3,4,5-trimethoxyphenyl)methanamine?
The InChIKey is OSHDSCWLHQRHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3/c1-19-13-8-11(9-14(20-2)16(13)21-3)15(18)10-4-6-12(17)7-5-10/h4-9,15H,18H2,1-3H3.
What are the key properties of (4-fluorophenyl)-(3,4,5-trimethoxyphenyl)methanamine?
(4-fluorophenyl)-(3,4,5-trimethoxyphenyl)methanamine has a molecular weight of 291.32 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(3,4,5-trimethoxyphenyl)methanamine is sourced from PubChem (CID 24688997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).