[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(2-chloro-6-methoxyphenyl)methanol

C15H20ClNO3 — CID 104819070

IUPAC[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(2-chloro-6-methoxyphenyl)methanol
SMILESCOc1cccc(Cl)c1C(O)C1(CN)CC2CCC1O2
InChIInChI=1S/C15H20ClNO3/c1-19-11-4-2-3-10(16)13(11)14(18)15(8-17)7-9-5-6-12(15)20-9/h2-4,9,12,14,18H,5-8,17H2,1H3
InChIKeyMDIDALGGHGHAQM-UHFFFAOYSA-N
MW297.78 g/mol
LogP2.28
Rot. Bonds4

About [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(2-chloro-6-methoxyphenyl)methanol

[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(2-chloro-6-methoxyphenyl)methanol (PubChem CID 104819070) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(2-chloro-6-methoxyphenyl)methanol.

Molecular Properties

Compound Name[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(2-chloro-6-methoxyphenyl)methanol
PubChem CID104819070
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(2-chloro-6-methoxyphenyl)methanol
SMILESCOc1cccc(Cl)c1C(O)C1(CN)CC2CCC1O2
InChIInChI=1S/C15H20ClNO3/c1-19-11-4-2-3-10(16)13(11)14(18)15(8-17)7-9-5-6-12(15)20-9/h2-4,9,12,14,18H,5-8,17H2,1H3
InChIKeyMDIDALGGHGHAQM-UHFFFAOYSA-N
XLogP2.28
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(2-chloro-6-methoxyphenyl)methanol with MolForge

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Related Compounds

[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(3-chloro-2-fluorophenyl)methanol
CID 114489214
[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(5-chloro-1-methylimidazol-2-yl)methanol
CID 114239544
methyl 2-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-hydroxyacetate
CID 79124240
[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(3,4-difluorophenyl)methanol
CID 79137859
[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(5-bromo-2-fluorophenyl)methanol
CID 79138626
2-(2-chloro-6-methoxyphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine
CID 104816304
1-(2-chloro-6-methoxyphenyl)-N-cyclopropylethane-1,2-diamine
CID 104816316
[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(4-methylcyclohexyl)methanol
CID 79124646
1-[(2-chloro-6-methoxyphenyl)-hydroxymethyl]cyclopentane-1-carbonitrile
CID 104819037
2-amino-1-(2-chloro-6-methoxyphenyl)propan-1-ol
CID 84681417
1-(2-chloro-6-methoxyphenyl)-N-(cyclopentylmethyl)-N-methylethane-1,2-diamine
CID 104816340
1-(2-chloro-6-methoxyphenyl)-N-methyl-N-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 104816344

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(2-chloro-6-methoxyphenyl)methanol?
The IUPAC name of [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(2-chloro-6-methoxyphenyl)methanol (CID 104819070) is [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(2-chloro-6-methoxyphenyl)methanol.
What is the SMILES notation for [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(2-chloro-6-methoxyphenyl)methanol?
The canonical SMILES for [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(2-chloro-6-methoxyphenyl)methanol is COc1cccc(Cl)c1C(O)C1(CN)CC2CCC1O2.
What is the InChIKey of [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(2-chloro-6-methoxyphenyl)methanol?
The InChIKey is MDIDALGGHGHAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-19-11-4-2-3-10(16)13(11)14(18)15(8-17)7-9-5-6-12(15)20-9/h2-4,9,12,14,18H,5-8,17H2,1H3.
What are the key properties of [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(2-chloro-6-methoxyphenyl)methanol?
[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(2-chloro-6-methoxyphenyl)methanol has a molecular weight of 297.78 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(2-chloro-6-methoxyphenyl)methanol is sourced from PubChem (CID 104819070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).