(S)-(4-methoxy-3-methylphenyl)-(oxan-4-yl)methanamine

C14H21NO2 — CID 171244198

IUPAC(S)-(4-methoxy-3-methylphenyl)-(oxan-4-yl)methanamine
SMILESCOc1ccc([C@@H](N)C2CCOCC2)cc1C
InChIInChI=1S/C14H21NO2/c1-10-9-12(3-4-13(10)16-2)14(15)11-5-7-17-8-6-11/h3-4,9,11,14H,5-8,15H2,1-2H3/t14-/m0/s1
InChIKeyUCQFRYNZAJLSMK-AWEZNQCLSA-N
MW235.33 g/mol
LogP2.43
Rot. Bonds3

About (S)-(4-methoxy-3-methylphenyl)-(oxan-4-yl)methanamine

(S)-(4-methoxy-3-methylphenyl)-(oxan-4-yl)methanamine (PubChem CID 171244198) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (S)-(4-methoxy-3-methylphenyl)-(oxan-4-yl)methanamine.

Molecular Properties

Compound Name(S)-(4-methoxy-3-methylphenyl)-(oxan-4-yl)methanamine
PubChem CID171244198
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(S)-(4-methoxy-3-methylphenyl)-(oxan-4-yl)methanamine
SMILESCOc1ccc([C@@H](N)C2CCOCC2)cc1C
InChIInChI=1S/C14H21NO2/c1-10-9-12(3-4-13(10)16-2)14(15)11-5-7-17-8-6-11/h3-4,9,11,14H,5-8,15H2,1-2H3/t14-/m0/s1
InChIKeyUCQFRYNZAJLSMK-AWEZNQCLSA-N
XLogP2.43
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-(3,4-dimethylphenyl)-(oxan-4-yl)methanamine
CID 94891825
(R)-cyclobutyl-(4-methoxy-3-methylphenyl)methanamine;hydrochloride
CID 171213709
(3-fluoro-4-methoxyphenyl)-(oxan-4-yl)methanamine
CID 62906702
(S)-(4-ethoxy-3-methoxyphenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171243693
(3,4-dimethoxyphenyl)-(oxolan-3-yl)methanamine
CID 61271784
(3-chloro-4-methoxyphenyl)-(oxolan-3-yl)methanamine
CID 61270663
(S)-(3-fluoro-4-methylphenyl)-(oxan-4-yl)methanamine
CID 131582096
(R)-(3-fluoro-4-methylphenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171247844
(S)-(4-methylphenyl)-(oxan-4-yl)methanamine
CID 94891785
(4-methoxy-3-methylphenyl)-(2-methylcyclopropyl)methanamine
CID 43379643
(S)-(2,5-dimethoxyphenyl)-(oxan-4-yl)methanamine
CID 94891789
(S)-(5-chloro-2-methoxyphenyl)-(oxan-4-yl)methanamine
CID 171244638

Frequently Asked Questions

What is the IUPAC name of (S)-(4-methoxy-3-methylphenyl)-(oxan-4-yl)methanamine?
The IUPAC name of (S)-(4-methoxy-3-methylphenyl)-(oxan-4-yl)methanamine (CID 171244198) is (S)-(4-methoxy-3-methylphenyl)-(oxan-4-yl)methanamine.
What is the SMILES notation for (S)-(4-methoxy-3-methylphenyl)-(oxan-4-yl)methanamine?
The canonical SMILES for (S)-(4-methoxy-3-methylphenyl)-(oxan-4-yl)methanamine is COc1ccc([C@@H](N)C2CCOCC2)cc1C.
What is the InChIKey of (S)-(4-methoxy-3-methylphenyl)-(oxan-4-yl)methanamine?
The InChIKey is UCQFRYNZAJLSMK-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-9-12(3-4-13(10)16-2)14(15)11-5-7-17-8-6-11/h3-4,9,11,14H,5-8,15H2,1-2H3/t14-/m0/s1.
What are the key properties of (S)-(4-methoxy-3-methylphenyl)-(oxan-4-yl)methanamine?
(S)-(4-methoxy-3-methylphenyl)-(oxan-4-yl)methanamine has a molecular weight of 235.33 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(4-methoxy-3-methylphenyl)-(oxan-4-yl)methanamine is sourced from PubChem (CID 171244198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).