N-[[2-fluoro-4-(4-methoxy-3-methylphenyl)phenyl]methyl]ethanamine

C17H20FNO — CID 61033040

IUPACN-[[2-fluoro-4-(4-methoxy-3-methylphenyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2ccc(OC)c(C)c2)cc1F
InChIInChI=1S/C17H20FNO/c1-4-19-11-15-6-5-14(10-16(15)18)13-7-8-17(20-3)12(2)9-13/h5-10,19H,4,11H2,1-3H3
InChIKeyZBTRSSDQMVUVQJ-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.92
Rot. Bonds5

About N-[[2-fluoro-4-(4-methoxy-3-methylphenyl)phenyl]methyl]ethanamine

N-[[2-fluoro-4-(4-methoxy-3-methylphenyl)phenyl]methyl]ethanamine (PubChem CID 61033040) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is N-[[2-fluoro-4-(4-methoxy-3-methylphenyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-fluoro-4-(4-methoxy-3-methylphenyl)phenyl]methyl]ethanamine
PubChem CID61033040
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC NameN-[[2-fluoro-4-(4-methoxy-3-methylphenyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2ccc(OC)c(C)c2)cc1F
InChIInChI=1S/C17H20FNO/c1-4-19-11-15-6-5-14(10-16(15)18)13-7-8-17(20-3)12(2)9-13/h5-10,19H,4,11H2,1-3H3
InChIKeyZBTRSSDQMVUVQJ-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(5-chloro-2-methoxyphenyl)-2-fluorophenyl]methyl]ethanamine
CID 61034237
N-[[2-fluoro-5-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-1-amine
CID 63428466
N-[[5-(3,4-dimethoxyphenyl)-2-fluorophenyl]methyl]ethanamine
CID 61026053
N-[[4-(3-chloro-4-methylphenyl)-2-fluorophenyl]methyl]ethanamine
CID 115504105
N-[[2-fluoro-4-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]ethanamine
CID 106879302
N-[[2-fluoro-4-(4-propan-2-ylphenyl)phenyl]methyl]ethanamine
CID 63424855
N-[[2-fluoro-4-(4-propoxyphenyl)phenyl]methyl]ethanamine
CID 63425081
N-[[3-(4-methoxy-3-methylphenyl)-4-methylphenyl]methyl]ethanamine
CID 105409944
N-[(2-fluoro-4-methylphenyl)methyl]ethanamine
CID 61033995
N-[[2-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]ethanamine
CID 61033400
methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155
N-[[5-(3,4-dimethylphenyl)-2-methoxyphenyl]methyl]propan-1-amine
CID 63424666

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-(4-methoxy-3-methylphenyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-fluoro-4-(4-methoxy-3-methylphenyl)phenyl]methyl]ethanamine (CID 61033040) is N-[[2-fluoro-4-(4-methoxy-3-methylphenyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-fluoro-4-(4-methoxy-3-methylphenyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-fluoro-4-(4-methoxy-3-methylphenyl)phenyl]methyl]ethanamine is CCNCc1ccc(-c2ccc(OC)c(C)c2)cc1F.
What is the InChIKey of N-[[2-fluoro-4-(4-methoxy-3-methylphenyl)phenyl]methyl]ethanamine?
The InChIKey is ZBTRSSDQMVUVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-4-19-11-15-6-5-14(10-16(15)18)13-7-8-17(20-3)12(2)9-13/h5-10,19H,4,11H2,1-3H3.
What are the key properties of N-[[2-fluoro-4-(4-methoxy-3-methylphenyl)phenyl]methyl]ethanamine?
N-[[2-fluoro-4-(4-methoxy-3-methylphenyl)phenyl]methyl]ethanamine has a molecular weight of 273.35 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-4-(4-methoxy-3-methylphenyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 61033040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).