(2-methoxy-4-methylphenyl)-(oxan-4-yl)methanamine

C14H21NO2 — CID 83824354

IUPAC(2-methoxy-4-methylphenyl)-(oxan-4-yl)methanamine
SMILESCOc1cc(C)ccc1C(N)C1CCOCC1
InChIInChI=1S/C14H21NO2/c1-10-3-4-12(13(9-10)16-2)14(15)11-5-7-17-8-6-11/h3-4,9,11,14H,5-8,15H2,1-2H3
InChIKeySGEOKKNBZJVYEO-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.43
Rot. Bonds3

About (2-methoxy-4-methylphenyl)-(oxan-4-yl)methanamine

(2-methoxy-4-methylphenyl)-(oxan-4-yl)methanamine (PubChem CID 83824354) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (2-methoxy-4-methylphenyl)-(oxan-4-yl)methanamine.

Molecular Properties

Compound Name(2-methoxy-4-methylphenyl)-(oxan-4-yl)methanamine
PubChem CID83824354
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(2-methoxy-4-methylphenyl)-(oxan-4-yl)methanamine
SMILESCOc1cc(C)ccc1C(N)C1CCOCC1
InChIInChI=1S/C14H21NO2/c1-10-3-4-12(13(9-10)16-2)14(15)11-5-7-17-8-6-11/h3-4,9,11,14H,5-8,15H2,1-2H3
InChIKeySGEOKKNBZJVYEO-UHFFFAOYSA-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

(2,4-dimethoxyphenyl)-(oxan-4-yl)methanamine
CID 62905650
(R)-(2,4-dimethoxyphenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171246686
(S)-(2-methoxyphenyl)-(oxan-4-yl)methanamine
CID 131274584
(S)-[2-methoxy-4-(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine;hydrochloride
CID 171245200
(R)-oxan-4-yl-(2,3,4-trimethoxyphenyl)methanamine
CID 171246211
[(2-methoxy-4-methylphenyl)-(oxolan-3-yl)methyl]hydrazine
CID 106793716
N-[(2-methoxy-4-methylphenyl)-(oxan-4-yl)methyl]ethanamine
CID 106792296
(S)-(2,5-dimethoxyphenyl)-(oxan-4-yl)methanamine
CID 94891789
(S)-(5-chloro-2-methoxyphenyl)-(oxan-4-yl)methanamine
CID 171244638
(S)-(2-fluoro-5-methylphenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171241011
(R)-(2-fluoro-5-methylphenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171247730
(S)-(4-methoxy-3-methylphenyl)-(oxan-4-yl)methanamine
CID 171244198

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4-methylphenyl)-(oxan-4-yl)methanamine?
The IUPAC name of (2-methoxy-4-methylphenyl)-(oxan-4-yl)methanamine (CID 83824354) is (2-methoxy-4-methylphenyl)-(oxan-4-yl)methanamine.
What is the SMILES notation for (2-methoxy-4-methylphenyl)-(oxan-4-yl)methanamine?
The canonical SMILES for (2-methoxy-4-methylphenyl)-(oxan-4-yl)methanamine is COc1cc(C)ccc1C(N)C1CCOCC1.
What is the InChIKey of (2-methoxy-4-methylphenyl)-(oxan-4-yl)methanamine?
The InChIKey is SGEOKKNBZJVYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-3-4-12(13(9-10)16-2)14(15)11-5-7-17-8-6-11/h3-4,9,11,14H,5-8,15H2,1-2H3.
What are the key properties of (2-methoxy-4-methylphenyl)-(oxan-4-yl)methanamine?
(2-methoxy-4-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 (2-methoxy-4-methylphenyl)-(oxan-4-yl)methanamine is sourced from PubChem (CID 83824354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).