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

C17H25NO3 — CID 106874848

IUPAC1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-2-methoxycyclohexan-1-ol
SMILESCOC1CCCCC1(O)C1(CN)CCOc2ccccc21
InChIInChI=1S/C17H25NO3/c1-20-15-8-4-5-9-17(15,19)16(12-18)10-11-21-14-7-3-2-6-13(14)16/h2-3,6-7,15,19H,4-5,8-12,18H2,1H3
InChIKeyBRYKWROTGJHFRH-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.99
Rot. Bonds3

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

1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-2-methoxycyclohexan-1-ol (PubChem CID 106874848) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-2-methoxycyclohexan-1-ol.

Molecular Properties

Compound Name1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-2-methoxycyclohexan-1-ol
PubChem CID106874848
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-2-methoxycyclohexan-1-ol
SMILESCOC1CCCCC1(O)C1(CN)CCOc2ccccc21
InChIInChI=1S/C17H25NO3/c1-20-15-8-4-5-9-17(15,19)16(12-18)10-11-21-14-7-3-2-6-13(14)16/h2-3,6-7,15,19H,4-5,8-12,18H2,1H3
InChIKeyBRYKWROTGJHFRH-UHFFFAOYSA-N
XLogP1.99
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-2-methoxycyclohexan-1-ol?
The IUPAC name of 1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-2-methoxycyclohexan-1-ol (CID 106874848) is 1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-2-methoxycyclohexan-1-ol.
What is the SMILES notation for 1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-2-methoxycyclohexan-1-ol?
The canonical SMILES for 1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-2-methoxycyclohexan-1-ol is COC1CCCCC1(O)C1(CN)CCOc2ccccc21.
What is the InChIKey of 1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-2-methoxycyclohexan-1-ol?
The InChIKey is BRYKWROTGJHFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-20-15-8-4-5-9-17(15,19)16(12-18)10-11-21-14-7-3-2-6-13(14)16/h2-3,6-7,15,19H,4-5,8-12,18H2,1H3.
What are the key properties of 1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-2-methoxycyclohexan-1-ol?
1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-2-methoxycyclohexan-1-ol has a molecular weight of 291.39 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-2-methoxycyclohexan-1-ol is sourced from PubChem (CID 106874848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).