[4-(3-fluoro-4-phenylmethoxyphenoxy)phenyl]methanamine

C20H18FNO2 — CID 143961012

IUPAC[4-(3-fluoro-4-phenylmethoxyphenoxy)phenyl]methanamine
SMILESNCc1ccc(Oc2ccc(OCc3ccccc3)c(F)c2)cc1
InChIInChI=1S/C20H18FNO2/c21-19-12-18(24-17-8-6-15(13-22)7-9-17)10-11-20(19)23-14-16-4-2-1-3-5-16/h1-12H,13-14,22H2
InChIKeyMKZQNHQUWQSABB-UHFFFAOYSA-N
MW323.37 g/mol
LogP4.66
Rot. Bonds6

About [4-(3-fluoro-4-phenylmethoxyphenoxy)phenyl]methanamine

[4-(3-fluoro-4-phenylmethoxyphenoxy)phenyl]methanamine (PubChem CID 143961012) has the molecular formula C20H18FNO2 and a molecular weight of 323.37 g/mol. Its IUPAC name is [4-(3-fluoro-4-phenylmethoxyphenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[4-(3-fluoro-4-phenylmethoxyphenoxy)phenyl]methanamine
PubChem CID143961012
Molecular FormulaC20H18FNO2
Molecular Weight323.37 g/mol
Exact Mass323.13
IUPAC Name[4-(3-fluoro-4-phenylmethoxyphenoxy)phenyl]methanamine
SMILESNCc1ccc(Oc2ccc(OCc3ccccc3)c(F)c2)cc1
InChIInChI=1S/C20H18FNO2/c21-19-12-18(24-17-8-6-15(13-22)7-9-17)10-11-20(19)23-14-16-4-2-1-3-5-16/h1-12H,13-14,22H2
InChIKeyMKZQNHQUWQSABB-UHFFFAOYSA-N
XLogP4.66
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-phenylmethoxyphenoxy)phenyl]methanamine
CID 139985270
[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methanamine
CID 28966349
1-(3-fluoro-4-phenylmethoxyphenyl)propan-2-amine
CID 23037612
3-fluoro-4-(3-fluoro-4-phenylmethoxyphenoxy)-2H-1,3-thiazole
CID 87533070
(2-fluoro-6-phenylmethoxyphenyl)methanamine
CID 23071556
[3-fluoro-4-(2-phenoxyethoxy)phenyl]methanamine
CID 28965923
(3-iodo-4-phenylmethoxyphenyl)methanamine
CID 169488711
1-(3-bromopropoxy)-2-fluoro-4-phenoxybenzene
CID 11438746
(1R)-2-amino-1-(3-fluoro-4-phenylmethoxyphenyl)ethanol
CID 68939021
[3-[(3,4-difluorophenoxy)methyl]phenyl]methanamine
CID 43554727
(4-methoxy-3-phenylmethoxyphenyl)methanamine
CID 12649335
4-(3-phenylmethoxyphenoxy)aniline
CID 89036367

Frequently Asked Questions

What is the IUPAC name of [4-(3-fluoro-4-phenylmethoxyphenoxy)phenyl]methanamine?
The IUPAC name of [4-(3-fluoro-4-phenylmethoxyphenoxy)phenyl]methanamine (CID 143961012) is [4-(3-fluoro-4-phenylmethoxyphenoxy)phenyl]methanamine.
What is the SMILES notation for [4-(3-fluoro-4-phenylmethoxyphenoxy)phenyl]methanamine?
The canonical SMILES for [4-(3-fluoro-4-phenylmethoxyphenoxy)phenyl]methanamine is NCc1ccc(Oc2ccc(OCc3ccccc3)c(F)c2)cc1.
What is the InChIKey of [4-(3-fluoro-4-phenylmethoxyphenoxy)phenyl]methanamine?
The InChIKey is MKZQNHQUWQSABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO2/c21-19-12-18(24-17-8-6-15(13-22)7-9-17)10-11-20(19)23-14-16-4-2-1-3-5-16/h1-12H,13-14,22H2.
What are the key properties of [4-(3-fluoro-4-phenylmethoxyphenoxy)phenyl]methanamine?
[4-(3-fluoro-4-phenylmethoxyphenoxy)phenyl]methanamine has a molecular weight of 323.37 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-fluoro-4-phenylmethoxyphenoxy)phenyl]methanamine is sourced from PubChem (CID 143961012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).