2-[4-[(4-fluoro-2-methylphenyl)methoxy]-3,5-dimethylphenyl]ethanamine

C18H22FNO — CID 114348464

IUPAC2-[4-[(4-fluoro-2-methylphenyl)methoxy]-3,5-dimethylphenyl]ethanamine
SMILESCc1cc(F)ccc1COc1c(C)cc(CCN)cc1C
InChIInChI=1S/C18H22FNO/c1-12-10-17(19)5-4-16(12)11-21-18-13(2)8-15(6-7-20)9-14(18)3/h4-5,8-10H,6-7,11,20H2,1-3H3
InChIKeyCEIMYRYFIQAQJA-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.83
Rot. Bonds5

About 2-[4-[(4-fluoro-2-methylphenyl)methoxy]-3,5-dimethylphenyl]ethanamine

2-[4-[(4-fluoro-2-methylphenyl)methoxy]-3,5-dimethylphenyl]ethanamine (PubChem CID 114348464) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-[4-[(4-fluoro-2-methylphenyl)methoxy]-3,5-dimethylphenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[(4-fluoro-2-methylphenyl)methoxy]-3,5-dimethylphenyl]ethanamine
PubChem CID114348464
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name2-[4-[(4-fluoro-2-methylphenyl)methoxy]-3,5-dimethylphenyl]ethanamine
SMILESCc1cc(F)ccc1COc1c(C)cc(CCN)cc1C
InChIInChI=1S/C18H22FNO/c1-12-10-17(19)5-4-16(12)11-21-18-13(2)8-15(6-7-20)9-14(18)3/h4-5,8-10H,6-7,11,20H2,1-3H3
InChIKeyCEIMYRYFIQAQJA-UHFFFAOYSA-N
XLogP3.83
TPSA35.25 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 ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(4-fluoro-2-methylphenyl)methoxy]-3-methoxyphenyl]ethanamine
CID 114348469
2-[3-chloro-4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine
CID 114348483
2-[4-[(4-ethylphenyl)methoxy]-3,5-dimethylphenyl]ethanamine
CID 63421326
5-(bromomethyl)-1,3-difluoro-2-[(4-fluoro-2-methylphenyl)methoxy]benzene
CID 114346366
5-(bromomethyl)-2-[(2,5-difluorophenyl)methoxy]-1,3-dimethylbenzene
CID 63535162
4-[(4-fluoro-2-methylphenyl)methoxy]-3,5-dimethylbenzenecarboximidamide
CID 114346108
[3-chloro-2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]methanamine
CID 114345832
2-[4-[(4-iodophenyl)methoxy]-3,5-dimethylphenyl]ethanamine
CID 65477113
[4-[(5-fluoro-2-methylphenyl)methoxy]-3,5-dimethylphenyl]methanol
CID 105372055
2-[4-(3-fluoropropoxy)-3,5-dimethylphenyl]ethanamine
CID 81113900
[4-[(2,6-dimethylphenoxy)methyl]-3-methylphenyl]methanamine
CID 114479266
4-[[2-(2-aminoethyl)-4-fluorophenoxy]methyl]-3-methylbenzonitrile
CID 107699998

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluoro-2-methylphenyl)methoxy]-3,5-dimethylphenyl]ethanamine?
The IUPAC name of 2-[4-[(4-fluoro-2-methylphenyl)methoxy]-3,5-dimethylphenyl]ethanamine (CID 114348464) is 2-[4-[(4-fluoro-2-methylphenyl)methoxy]-3,5-dimethylphenyl]ethanamine.
What is the SMILES notation for 2-[4-[(4-fluoro-2-methylphenyl)methoxy]-3,5-dimethylphenyl]ethanamine?
The canonical SMILES for 2-[4-[(4-fluoro-2-methylphenyl)methoxy]-3,5-dimethylphenyl]ethanamine is Cc1cc(F)ccc1COc1c(C)cc(CCN)cc1C.
What is the InChIKey of 2-[4-[(4-fluoro-2-methylphenyl)methoxy]-3,5-dimethylphenyl]ethanamine?
The InChIKey is CEIMYRYFIQAQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-12-10-17(19)5-4-16(12)11-21-18-13(2)8-15(6-7-20)9-14(18)3/h4-5,8-10H,6-7,11,20H2,1-3H3.
What are the key properties of 2-[4-[(4-fluoro-2-methylphenyl)methoxy]-3,5-dimethylphenyl]ethanamine?
2-[4-[(4-fluoro-2-methylphenyl)methoxy]-3,5-dimethylphenyl]ethanamine has a molecular weight of 287.38 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluoro-2-methylphenyl)methoxy]-3,5-dimethylphenyl]ethanamine is sourced from PubChem (CID 114348464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).