4-[(R)-amino(oxan-4-yl)methyl]phenol

C12H17NO2 — CID 131289814

IUPAC4-[(R)-amino(oxan-4-yl)methyl]phenol
SMILESN[C@@H](c1ccc(O)cc1)C1CCOCC1
InChIInChI=1S/C12H17NO2/c13-12(10-5-7-15-8-6-10)9-1-3-11(14)4-2-9/h1-4,10,12,14H,5-8,13H2/t12-/m0/s1
InChIKeyFABSUTDHCFZUIT-LBPRGKRZSA-N
MW207.27 g/mol
LogP1.82
Rot. Bonds2

About 4-[(R)-amino(oxan-4-yl)methyl]phenol

4-[(R)-amino(oxan-4-yl)methyl]phenol (PubChem CID 131289814) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 4-[(R)-amino(oxan-4-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(R)-amino(oxan-4-yl)methyl]phenol
PubChem CID131289814
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name4-[(R)-amino(oxan-4-yl)methyl]phenol
SMILESN[C@@H](c1ccc(O)cc1)C1CCOCC1
InChIInChI=1S/C12H17NO2/c13-12(10-5-7-15-8-6-10)9-1-3-11(14)4-2-9/h1-4,10,12,14H,5-8,13H2/t12-/m0/s1
InChIKeyFABSUTDHCFZUIT-LBPRGKRZSA-N
XLogP1.82
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(S)-amino(cyclobutyl)methyl]phenol
CID 130741168
4-[(R)-amino(cyclobutyl)methyl]phenol
CID 130780811
(S)-(4-fluorophenyl)-(oxan-4-yl)methanamine
CID 94891777
(R)-(4-fluorophenyl)-(oxan-4-yl)methanamine
CID 94891776
(S)-(4-methylphenyl)-(oxan-4-yl)methanamine
CID 94891785
5-[(R)-amino(oxan-4-yl)methyl]benzene-1,3-diol;hydrochloride
CID 171246230
4-[(R)-amino(oxan-4-yl)methyl]-2-bromophenol
CID 131552717
(R)-oxan-4-yl-(4-propan-2-yloxyphenyl)methanamine;hydrochloride
CID 171250022
oxan-4-yl-(4-phenoxyphenyl)methanamine
CID 62906011
(S)-(3,4-dimethylphenyl)-(oxan-4-yl)methanamine
CID 94891825
(3,4-dichlorophenyl)-(oxan-4-yl)methanamine
CID 62906187
methyl 4-[(R)-amino(oxan-4-yl)methyl]benzoate;hydrochloride
CID 171250591

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-amino(oxan-4-yl)methyl]phenol?
The IUPAC name of 4-[(R)-amino(oxan-4-yl)methyl]phenol (CID 131289814) is 4-[(R)-amino(oxan-4-yl)methyl]phenol.
What is the SMILES notation for 4-[(R)-amino(oxan-4-yl)methyl]phenol?
The canonical SMILES for 4-[(R)-amino(oxan-4-yl)methyl]phenol is N[C@@H](c1ccc(O)cc1)C1CCOCC1.
What is the InChIKey of 4-[(R)-amino(oxan-4-yl)methyl]phenol?
The InChIKey is FABSUTDHCFZUIT-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H17NO2/c13-12(10-5-7-15-8-6-10)9-1-3-11(14)4-2-9/h1-4,10,12,14H,5-8,13H2/t12-/m0/s1.
What are the key properties of 4-[(R)-amino(oxan-4-yl)methyl]phenol?
4-[(R)-amino(oxan-4-yl)methyl]phenol has a molecular weight of 207.27 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-amino(oxan-4-yl)methyl]phenol is sourced from PubChem (CID 131289814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).