1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-3-propan-2-ylcyclobutan-1-ol

C17H25NO2 — CID 103565551

IUPAC1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-3-propan-2-ylcyclobutan-1-ol
SMILESCC(C)C1CC(O)(C2(CN)CCOc3ccccc32)C1
InChIInChI=1S/C17H25NO2/c1-12(2)13-9-17(19,10-13)16(11-18)7-8-20-15-6-4-3-5-14(15)16/h3-6,12-13,19H,7-11,18H2,1-2H3
InChIKeyBPRNHKPEBANIDP-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.46
Rot. Bonds3

About 1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-3-propan-2-ylcyclobutan-1-ol

1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-3-propan-2-ylcyclobutan-1-ol (PubChem CID 103565551) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-3-propan-2-ylcyclobutan-1-ol.

Molecular Properties

Compound Name1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-3-propan-2-ylcyclobutan-1-ol
PubChem CID103565551
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-3-propan-2-ylcyclobutan-1-ol
SMILESCC(C)C1CC(O)(C2(CN)CCOc3ccccc32)C1
InChIInChI=1S/C17H25NO2/c1-12(2)13-9-17(19,10-13)16(11-18)7-8-20-15-6-4-3-5-14(15)16/h3-6,12-13,19H,7-11,18H2,1-2H3
InChIKeyBPRNHKPEBANIDP-UHFFFAOYSA-N
XLogP2.46
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.46
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]-3-propan-2-ylcyclobutan-1-ol?
The IUPAC name of 1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-3-propan-2-ylcyclobutan-1-ol (CID 103565551) is 1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-3-propan-2-ylcyclobutan-1-ol.
What is the SMILES notation for 1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-3-propan-2-ylcyclobutan-1-ol?
The canonical SMILES for 1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-3-propan-2-ylcyclobutan-1-ol is CC(C)C1CC(O)(C2(CN)CCOc3ccccc32)C1.
What is the InChIKey of 1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-3-propan-2-ylcyclobutan-1-ol?
The InChIKey is BPRNHKPEBANIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12(2)13-9-17(19,10-13)16(11-18)7-8-20-15-6-4-3-5-14(15)16/h3-6,12-13,19H,7-11,18H2,1-2H3.
What are the key properties of 1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-3-propan-2-ylcyclobutan-1-ol?
1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-3-propan-2-ylcyclobutan-1-ol has a molecular weight of 275.39 g/mol, XLogP of 2.46, 3 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]-3-propan-2-ylcyclobutan-1-ol is sourced from PubChem (CID 103565551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).