[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(4-fluorophenyl)methanol

C17H18FNO2 — CID 79123378

IUPAC[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(4-fluorophenyl)methanol
SMILESNCC1(C(O)c2ccc(F)cc2)CCOc2ccccc21
InChIInChI=1S/C17H18FNO2/c18-13-7-5-12(6-8-13)16(20)17(11-19)9-10-21-15-4-2-1-3-14(15)17/h1-8,16,20H,9-11,19H2
InChIKeyRNHKWQGEYXHOCL-UHFFFAOYSA-N
MW287.33 g/mol
LogP2.54
Rot. Bonds3

About [4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(4-fluorophenyl)methanol

[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(4-fluorophenyl)methanol (PubChem CID 79123378) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is [4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(4-fluorophenyl)methanol.

Molecular Properties

Compound Name[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(4-fluorophenyl)methanol
PubChem CID79123378
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(4-fluorophenyl)methanol
SMILESNCC1(C(O)c2ccc(F)cc2)CCOc2ccccc21
InChIInChI=1S/C17H18FNO2/c18-13-7-5-12(6-8-13)16(20)17(11-19)9-10-21-15-4-2-1-3-14(15)17/h1-8,16,20H,9-11,19H2
InChIKeyRNHKWQGEYXHOCL-UHFFFAOYSA-N
XLogP2.54
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(4-fluorophenyl)methanol?
The IUPAC name of [4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(4-fluorophenyl)methanol (CID 79123378) is [4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(4-fluorophenyl)methanol.
What is the SMILES notation for [4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(4-fluorophenyl)methanol?
The canonical SMILES for [4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(4-fluorophenyl)methanol is NCC1(C(O)c2ccc(F)cc2)CCOc2ccccc21.
What is the InChIKey of [4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(4-fluorophenyl)methanol?
The InChIKey is RNHKWQGEYXHOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c18-13-7-5-12(6-8-13)16(20)17(11-19)9-10-21-15-4-2-1-3-14(15)17/h1-8,16,20H,9-11,19H2.
What are the key properties of [4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(4-fluorophenyl)methanol?
[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(4-fluorophenyl)methanol has a molecular weight of 287.33 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(4-fluorophenyl)methanol is sourced from PubChem (CID 79123378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).