N-[(4-fluoro-2,6-dimethylphenyl)-(2-methoxyphenyl)methyl]ethanamine

C18H22FNO — CID 106878124

IUPACN-[(4-fluoro-2,6-dimethylphenyl)-(2-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccccc1OC)c1c(C)cc(F)cc1C
InChIInChI=1S/C18H22FNO/c1-5-20-18(15-8-6-7-9-16(15)21-4)17-12(2)10-14(19)11-13(17)3/h6-11,18,20H,5H2,1-4H3
InChIKeyKLLQYPIRQMOHOK-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.15
Rot. Bonds5

About N-[(4-fluoro-2,6-dimethylphenyl)-(2-methoxyphenyl)methyl]ethanamine

N-[(4-fluoro-2,6-dimethylphenyl)-(2-methoxyphenyl)methyl]ethanamine (PubChem CID 106878124) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[(4-fluoro-2,6-dimethylphenyl)-(2-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-fluoro-2,6-dimethylphenyl)-(2-methoxyphenyl)methyl]ethanamine
PubChem CID106878124
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC NameN-[(4-fluoro-2,6-dimethylphenyl)-(2-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccccc1OC)c1c(C)cc(F)cc1C
InChIInChI=1S/C18H22FNO/c1-5-20-18(15-8-6-7-9-16(15)21-4)17-12(2)10-14(19)11-13(17)3/h6-11,18,20H,5H2,1-4H3
InChIKeyKLLQYPIRQMOHOK-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)-(4-fluoro-2,6-dimethylphenyl)methyl]ethanamine
CID 106878377
N-[(4-fluoro-2,6-dimethylphenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
CID 106878270
N-[(4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 43488877
N-[(2-fluoro-3-methoxyphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 82791652
N-[(2-fluoro-4-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 115793050
N-[(2-chloro-4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 62945872
N-[(3-chloro-2-fluorophenyl)-(4-fluoro-2,6-dimethylphenyl)methyl]ethanamine
CID 106878168
N-[(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 82793003
N-[(2-methoxy-4-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 106792216
N-[(2-chloro-3-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 115792936
N-[(2-methoxyphenyl)-phenylmethyl]ethanamine
CID 43489120
N-[(4-chloro-2-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 63081777

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-2,6-dimethylphenyl)-(2-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(4-fluoro-2,6-dimethylphenyl)-(2-methoxyphenyl)methyl]ethanamine (CID 106878124) is N-[(4-fluoro-2,6-dimethylphenyl)-(2-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-fluoro-2,6-dimethylphenyl)-(2-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-fluoro-2,6-dimethylphenyl)-(2-methoxyphenyl)methyl]ethanamine is CCNC(c1ccccc1OC)c1c(C)cc(F)cc1C.
What is the InChIKey of N-[(4-fluoro-2,6-dimethylphenyl)-(2-methoxyphenyl)methyl]ethanamine?
The InChIKey is KLLQYPIRQMOHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-5-20-18(15-8-6-7-9-16(15)21-4)17-12(2)10-14(19)11-13(17)3/h6-11,18,20H,5H2,1-4H3.
What are the key properties of N-[(4-fluoro-2,6-dimethylphenyl)-(2-methoxyphenyl)methyl]ethanamine?
N-[(4-fluoro-2,6-dimethylphenyl)-(2-methoxyphenyl)methyl]ethanamine has a molecular weight of 287.38 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-2,6-dimethylphenyl)-(2-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 106878124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).