1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-2-phenylethanol

C18H21NO2 — CID 79124581

IUPAC1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-2-phenylethanol
SMILESNCC1(C(O)Cc2ccccc2)CCOc2ccccc21
InChIInChI=1S/C18H21NO2/c19-13-18(17(20)12-14-6-2-1-3-7-14)10-11-21-16-9-5-4-8-15(16)18/h1-9,17,20H,10-13,19H2
InChIKeyPUHIEVHHXHPGCM-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.27
Rot. Bonds4

About 1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-2-phenylethanol

1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-2-phenylethanol (PubChem CID 79124581) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-2-phenylethanol.

Molecular Properties

Compound Name1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-2-phenylethanol
PubChem CID79124581
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-2-phenylethanol
SMILESNCC1(C(O)Cc2ccccc2)CCOc2ccccc21
InChIInChI=1S/C18H21NO2/c19-13-18(17(20)12-14-6-2-1-3-7-14)10-11-21-16-9-5-4-8-15(16)18/h1-9,17,20H,10-13,19H2
InChIKeyPUHIEVHHXHPGCM-UHFFFAOYSA-N
XLogP2.27
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-2-phenylethanol?
The IUPAC name of 1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-2-phenylethanol (CID 79124581) is 1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-2-phenylethanol.
What is the SMILES notation for 1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-2-phenylethanol?
The canonical SMILES for 1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-2-phenylethanol is NCC1(C(O)Cc2ccccc2)CCOc2ccccc21.
What is the InChIKey of 1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-2-phenylethanol?
The InChIKey is PUHIEVHHXHPGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c19-13-18(17(20)12-14-6-2-1-3-7-14)10-11-21-16-9-5-4-8-15(16)18/h1-9,17,20H,10-13,19H2.
What are the key properties of 1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-2-phenylethanol?
1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-2-phenylethanol has a molecular weight of 283.37 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-2-phenylethanol is sourced from PubChem (CID 79124581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).