[5-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]-2-methoxyphenyl]methanamine

C27H22FNO2 — CID 174396690

IUPAC[5-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]-2-methoxyphenyl]methanamine
SMILESCOc1ccc(C2(c3ccccc3F)C=Cc3c(ccc4ccccc34)O2)cc1CN
InChIInChI=1S/C27H22FNO2/c1-30-25-13-11-20(16-19(25)17-29)27(23-8-4-5-9-24(23)28)15-14-22-21-7-3-2-6-18(21)10-12-26(22)31-27/h2-16H,17,29H2,1H3
InChIKeyJOGJXTXESOYZFG-UHFFFAOYSA-N
MW411.48 g/mol
LogP5.80
Rot. Bonds4

About [5-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]-2-methoxyphenyl]methanamine

[5-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]-2-methoxyphenyl]methanamine (PubChem CID 174396690) has the molecular formula C27H22FNO2 and a molecular weight of 411.48 g/mol. Its IUPAC name is [5-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]-2-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[5-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]-2-methoxyphenyl]methanamine
PubChem CID174396690
Molecular FormulaC27H22FNO2
Molecular Weight411.48 g/mol
Exact Mass411.16
IUPAC Name[5-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]-2-methoxyphenyl]methanamine
SMILESCOc1ccc(C2(c3ccccc3F)C=Cc3c(ccc4ccccc34)O2)cc1CN
InChIInChI=1S/C27H22FNO2/c1-30-25-13-11-20(16-19(25)17-29)27(23-8-4-5-9-24(23)28)15-14-22-21-7-3-2-6-18(21)10-12-26(22)31-27/h2-16H,17,29H2,1H3
InChIKeyJOGJXTXESOYZFG-UHFFFAOYSA-N
XLogP5.80
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.48
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluorophenyl)-3-(4-methoxyphenyl)benzo[f]chromene
CID 3104875
(3S)-3-(3,4-dimethoxyphenyl)-3-phenylbenzo[f]chromene
CID 102063385
3-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)benzo[f]chromene
CID 18916131
3-(2-fluorophenyl)-3-(4-methoxyphenyl)-[1]benzofuro[3,2-f]chromene
CID 3124844
9,9-dimethylspiro[anthracene-10,3'-benzo[f]chromene]
CID 22084982
8-methoxy-3-naphthalen-2-yl-3-phenylbenzo[f]chromene
CID 139692008
3,3-bis[3-(trifluoromethyl)phenyl]benzo[f]chromene
CID 71346281
3-[4-[2-(2-methoxyethoxy)ethyl]phenyl]-3-naphthalen-2-ylbenzo[f]chromene
CID 139694625
4-[3,3-bis(3-fluoro-4-methoxyphenyl)benzo[f]chromen-6-yl]thiomorpholine
CID 23228089
4-[3-[(3R)-3-(2-fluorophenyl)-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine
CID 21305843
8-methoxy-3,3-bis(4-phenylphenyl)benzo[f]chromene
CID 15333406
7'-methoxy-3'-methyl-2'-phenylspiro[benzo[f]chromene-3,4'-chromene]
CID 19084318

Frequently Asked Questions

What is the IUPAC name of [5-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]-2-methoxyphenyl]methanamine?
The IUPAC name of [5-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]-2-methoxyphenyl]methanamine (CID 174396690) is [5-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]-2-methoxyphenyl]methanamine.
What is the SMILES notation for [5-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]-2-methoxyphenyl]methanamine?
The canonical SMILES for [5-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]-2-methoxyphenyl]methanamine is COc1ccc(C2(c3ccccc3F)C=Cc3c(ccc4ccccc34)O2)cc1CN.
What is the InChIKey of [5-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]-2-methoxyphenyl]methanamine?
The InChIKey is JOGJXTXESOYZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FNO2/c1-30-25-13-11-20(16-19(25)17-29)27(23-8-4-5-9-24(23)28)15-14-22-21-7-3-2-6-18(21)10-12-26(22)31-27/h2-16H,17,29H2,1H3.
What are the key properties of [5-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]-2-methoxyphenyl]methanamine?
[5-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]-2-methoxyphenyl]methanamine has a molecular weight of 411.48 g/mol, XLogP of 5.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]-2-methoxyphenyl]methanamine is sourced from PubChem (CID 174396690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).