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

C16H21N3O2 — CID 79125290

IUPAC[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(3-ethylimidazol-4-yl)methanol
SMILESCCn1cncc1C(O)C1(CN)CCOc2ccccc21
InChIInChI=1S/C16H21N3O2/c1-2-19-11-18-9-13(19)15(20)16(10-17)7-8-21-14-6-4-3-5-12(14)16/h3-6,9,11,15,20H,2,7-8,10,17H2,1H3
InChIKeyMKBCCWQYDGYADC-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.62
Rot. Bonds4

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

[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(3-ethylimidazol-4-yl)methanol (PubChem CID 79125290) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is [4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(3-ethylimidazol-4-yl)methanol.

Molecular Properties

Compound Name[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(3-ethylimidazol-4-yl)methanol
PubChem CID79125290
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(3-ethylimidazol-4-yl)methanol
SMILESCCn1cncc1C(O)C1(CN)CCOc2ccccc21
InChIInChI=1S/C16H21N3O2/c1-2-19-11-18-9-13(19)15(20)16(10-17)7-8-21-14-6-4-3-5-12(14)16/h3-6,9,11,15,20H,2,7-8,10,17H2,1H3
InChIKeyMKBCCWQYDGYADC-UHFFFAOYSA-N
XLogP1.62
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]propan-1-ol
CID 79138768
[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(2-fluorophenyl)methanol
CID 79123613
1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-2-ethylbutan-1-ol
CID 79138339
1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-3-methylbutan-1-ol
CID 79137627
[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(4-fluorophenyl)methanol
CID 79123378
1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-2-phenylethanol
CID 79124581
[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(3-methylthiophen-2-yl)methanol
CID 79138969
[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(5-chlorothiophen-2-yl)methanol
CID 79138364
[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(3-propan-2-ylimidazol-4-yl)methanol
CID 79125450
(4-methyl-2,3-dihydrochromen-4-yl)methanamine
CID 65408065
(2-chlorophenyl)-(3-ethylimidazol-4-yl)methanol
CID 66135580
4-(aminomethyl)-2,3-dihydrochromen-4-ol;hydrochloride
CID 12914868

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(3-ethylimidazol-4-yl)methanol?
The IUPAC name of [4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(3-ethylimidazol-4-yl)methanol (CID 79125290) is [4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(3-ethylimidazol-4-yl)methanol.
What is the SMILES notation for [4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(3-ethylimidazol-4-yl)methanol?
The canonical SMILES for [4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(3-ethylimidazol-4-yl)methanol is CCn1cncc1C(O)C1(CN)CCOc2ccccc21.
What is the InChIKey of [4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(3-ethylimidazol-4-yl)methanol?
The InChIKey is MKBCCWQYDGYADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-19-11-18-9-13(19)15(20)16(10-17)7-8-21-14-6-4-3-5-12(14)16/h3-6,9,11,15,20H,2,7-8,10,17H2,1H3.
What are the key properties of [4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(3-ethylimidazol-4-yl)methanol?
[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(3-ethylimidazol-4-yl)methanol has a molecular weight of 287.36 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(3-ethylimidazol-4-yl)methanol is sourced from PubChem (CID 79125290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).