(2-fluoro-4-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanamine

C18H22FNO — CID 102882564

IUPAC(2-fluoro-4-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanamine
SMILESCOc1ccc(C(N)c2c(C)c(C)cc(C)c2C)c(F)c1
InChIInChI=1S/C18H22FNO/c1-10-8-11(2)13(4)17(12(10)3)18(20)15-7-6-14(21-5)9-16(15)19/h6-9,18H,20H2,1-5H3
InChIKeyMGIQDQZROBZSAF-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.12
Rot. Bonds3

About (2-fluoro-4-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanamine

(2-fluoro-4-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanamine (PubChem CID 102882564) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is (2-fluoro-4-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanamine.

Molecular Properties

Compound Name(2-fluoro-4-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanamine
PubChem CID102882564
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name(2-fluoro-4-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanamine
SMILESCOc1ccc(C(N)c2c(C)c(C)cc(C)c2C)c(F)c1
InChIInChI=1S/C18H22FNO/c1-10-8-11(2)13(4)17(12(10)3)18(20)15-7-6-14(21-5)9-16(15)19/h6-9,18H,20H2,1-5H3
InChIKeyMGIQDQZROBZSAF-UHFFFAOYSA-N
XLogP4.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-fluoro-4-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanol
CID 102884337
(2,5-difluoro-4-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 102882947
(4-fluoro-3,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 102882911
(2,4-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561246
(2,6-dimethoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561193
(5-chloro-2-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 82883895
(2-fluoro-4-methoxyphenyl)-phenylmethanamine
CID 43561220
(3-chloro-2-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 107096474
(1R)-2,2-difluoro-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 130665860
(2-fluoro-4-methoxyphenyl)-(2-methylthiophen-3-yl)methanamine
CID 102833497
(2,4-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561229
(2-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethanamine
CID 103395513

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanamine?
The IUPAC name of (2-fluoro-4-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanamine (CID 102882564) is (2-fluoro-4-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanamine.
What is the SMILES notation for (2-fluoro-4-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanamine?
The canonical SMILES for (2-fluoro-4-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanamine is COc1ccc(C(N)c2c(C)c(C)cc(C)c2C)c(F)c1.
What is the InChIKey of (2-fluoro-4-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanamine?
The InChIKey is MGIQDQZROBZSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-10-8-11(2)13(4)17(12(10)3)18(20)15-7-6-14(21-5)9-16(15)19/h6-9,18H,20H2,1-5H3.
What are the key properties of (2-fluoro-4-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanamine?
(2-fluoro-4-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanamine has a molecular weight of 287.38 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanamine is sourced from PubChem (CID 102882564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).