(R)-[4-(aminomethyl)oxan-4-yl]-(4-methoxyphenyl)methanol

C14H21NO3 — CID 97035178

IUPAC(R)-[4-(aminomethyl)oxan-4-yl]-(4-methoxyphenyl)methanol
SMILESCOc1ccc([C@@H](O)C2(CN)CCOCC2)cc1
InChIInChI=1S/C14H21NO3/c1-17-12-4-2-11(3-5-12)13(16)14(10-15)6-8-18-9-7-14/h2-5,13,16H,6-10,15H2,1H3/t13-/m1/s1
InChIKeyNREFIJHFKFJVQA-CYBMUJFWSA-N
MW251.33 g/mol
LogP1.48
Rot. Bonds4

About (R)-[4-(aminomethyl)oxan-4-yl]-(4-methoxyphenyl)methanol

(R)-[4-(aminomethyl)oxan-4-yl]-(4-methoxyphenyl)methanol (PubChem CID 97035178) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is (R)-[4-(aminomethyl)oxan-4-yl]-(4-methoxyphenyl)methanol.

Molecular Properties

Compound Name(R)-[4-(aminomethyl)oxan-4-yl]-(4-methoxyphenyl)methanol
PubChem CID97035178
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name(R)-[4-(aminomethyl)oxan-4-yl]-(4-methoxyphenyl)methanol
SMILESCOc1ccc([C@@H](O)C2(CN)CCOCC2)cc1
InChIInChI=1S/C14H21NO3/c1-17-12-4-2-11(3-5-12)13(16)14(10-15)6-8-18-9-7-14/h2-5,13,16H,6-10,15H2,1H3/t13-/m1/s1
InChIKeyNREFIJHFKFJVQA-CYBMUJFWSA-N
XLogP1.48
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (R)-[4-(aminomethyl)oxan-4-yl]-(4-methoxyphenyl)methanol?
The IUPAC name of (R)-[4-(aminomethyl)oxan-4-yl]-(4-methoxyphenyl)methanol (CID 97035178) is (R)-[4-(aminomethyl)oxan-4-yl]-(4-methoxyphenyl)methanol.
What is the SMILES notation for (R)-[4-(aminomethyl)oxan-4-yl]-(4-methoxyphenyl)methanol?
The canonical SMILES for (R)-[4-(aminomethyl)oxan-4-yl]-(4-methoxyphenyl)methanol is COc1ccc([C@@H](O)C2(CN)CCOCC2)cc1.
What is the InChIKey of (R)-[4-(aminomethyl)oxan-4-yl]-(4-methoxyphenyl)methanol?
The InChIKey is NREFIJHFKFJVQA-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H21NO3/c1-17-12-4-2-11(3-5-12)13(16)14(10-15)6-8-18-9-7-14/h2-5,13,16H,6-10,15H2,1H3/t13-/m1/s1.
What are the key properties of (R)-[4-(aminomethyl)oxan-4-yl]-(4-methoxyphenyl)methanol?
(R)-[4-(aminomethyl)oxan-4-yl]-(4-methoxyphenyl)methanol has a molecular weight of 251.33 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[4-(aminomethyl)oxan-4-yl]-(4-methoxyphenyl)methanol is sourced from PubChem (CID 97035178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).