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

C16H25NO2 — CID 79138339

IUPAC1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-2-ethylbutan-1-ol
SMILESCCC(CC)C(O)C1(CN)CCOc2ccccc21
InChIInChI=1S/C16H25NO2/c1-3-12(4-2)15(18)16(11-17)9-10-19-14-8-6-5-7-13(14)16/h5-8,12,15,18H,3-4,9-11,17H2,1-2H3
InChIKeyNETSWHVAHOWGME-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.46
Rot. Bonds5

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

1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-2-ethylbutan-1-ol (PubChem CID 79138339) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-2-ethylbutan-1-ol
PubChem CID79138339
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-2-ethylbutan-1-ol
SMILESCCC(CC)C(O)C1(CN)CCOc2ccccc21
InChIInChI=1S/C16H25NO2/c1-3-12(4-2)15(18)16(11-17)9-10-19-14-8-6-5-7-13(14)16/h5-8,12,15,18H,3-4,9-11,17H2,1-2H3
InChIKeyNETSWHVAHOWGME-UHFFFAOYSA-N
XLogP2.46
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]propan-1-ol
CID 79138768
1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-3-methylbutan-1-ol
CID 79137627
1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-2-phenylethanol
CID 79124581
[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(4-fluorophenyl)methanol
CID 79123378
[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(2-fluorophenyl)methanol
CID 79123613
[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(3-methylthiophen-2-yl)methanol
CID 79138969
[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(3-ethylimidazol-4-yl)methanol
CID 79125290
[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-(5-chlorothiophen-2-yl)methanol
CID 79138364
(4-methyl-2,3-dihydrochromen-4-yl)methanamine
CID 65408065
4-(aminomethyl)-2,3-dihydrochromen-4-ol;hydrochloride
CID 12914868
(4-butyl-2,3-dihydrochromen-4-yl)methanamine
CID 65407498
4-(2-hydroxybutyl)-2,3-dihydrochromene-4-carboxylic acid
CID 79429529

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-2-ethylbutan-1-ol?
The IUPAC name of 1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-2-ethylbutan-1-ol (CID 79138339) is 1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-2-ethylbutan-1-ol.
What is the SMILES notation for 1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-2-ethylbutan-1-ol?
The canonical SMILES for 1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-2-ethylbutan-1-ol is CCC(CC)C(O)C1(CN)CCOc2ccccc21.
What is the InChIKey of 1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-2-ethylbutan-1-ol?
The InChIKey is NETSWHVAHOWGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-12(4-2)15(18)16(11-17)9-10-19-14-8-6-5-7-13(14)16/h5-8,12,15,18H,3-4,9-11,17H2,1-2H3.
What are the key properties of 1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-2-ethylbutan-1-ol?
1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-2-ethylbutan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.46, 5 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-ethylbutan-1-ol is sourced from PubChem (CID 79138339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).