(R)-(2,4-dimethoxyphenyl)-(oxan-4-yl)methanamine;hydrochloride

C14H22ClNO3 — CID 171246686

IUPAC(R)-(2,4-dimethoxyphenyl)-(oxan-4-yl)methanamine;hydrochloride
SMILESCOc1ccc([C@H](N)C2CCOCC2)c(OC)c1.Cl
InChIInChI=1S/C14H21NO3.ClH/c1-16-11-3-4-12(13(9-11)17-2)14(15)10-5-7-18-8-6-10;/h3-4,9-10,14H,5-8,15H2,1-2H3;1H/t14-;/m1./s1
InChIKeyXBGKSGONLNNSAU-PFEQFJNWSA-N
MW287.79 g/mol
LogP2.55
Rot. Bonds4

About (R)-(2,4-dimethoxyphenyl)-(oxan-4-yl)methanamine;hydrochloride

(R)-(2,4-dimethoxyphenyl)-(oxan-4-yl)methanamine;hydrochloride (PubChem CID 171246686) has the molecular formula C14H22ClNO3 and a molecular weight of 287.79 g/mol. Its IUPAC name is (R)-(2,4-dimethoxyphenyl)-(oxan-4-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(R)-(2,4-dimethoxyphenyl)-(oxan-4-yl)methanamine;hydrochloride
PubChem CID171246686
Molecular FormulaC14H22ClNO3
Molecular Weight287.79 g/mol
Exact Mass287.13
IUPAC Name(R)-(2,4-dimethoxyphenyl)-(oxan-4-yl)methanamine;hydrochloride
SMILESCOc1ccc([C@H](N)C2CCOCC2)c(OC)c1.Cl
InChIInChI=1S/C14H21NO3.ClH/c1-16-11-3-4-12(13(9-11)17-2)14(15)10-5-7-18-8-6-10;/h3-4,9-10,14H,5-8,15H2,1-2H3;1H/t14-;/m1./s1
InChIKeyXBGKSGONLNNSAU-PFEQFJNWSA-N
XLogP2.55
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-dimethoxyphenyl)-(oxan-4-yl)methanamine
CID 62905650
(S)-(2,5-dimethoxyphenyl)-(oxan-4-yl)methanamine
CID 94891789
(2-methoxy-4-methylphenyl)-(oxan-4-yl)methanamine
CID 83824354
(R)-(2,4-dimethoxyphenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314189
(S)-[2-methoxy-4-(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine;hydrochloride
CID 171245200
(S)-(2-methoxyphenyl)-(oxan-4-yl)methanamine
CID 131274584
(R)-[4-methoxy-2-(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine
CID 171249121
oxan-4-yl-(2,4,6-trimethoxyphenyl)methanamine
CID 62905832
(2,4-dimethoxyphenyl)-(3,5-dimethylcyclohexyl)methanamine
CID 104988937
(R)-oxan-4-yl-(2,3,4-trimethoxyphenyl)methanamine
CID 171246211
(2,4-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanamine
CID 104989441
[(2,4-dimethoxyphenyl)-(oxolan-3-yl)methyl]hydrazine
CID 105229519

Frequently Asked Questions

What is the IUPAC name of (R)-(2,4-dimethoxyphenyl)-(oxan-4-yl)methanamine;hydrochloride?
The IUPAC name of (R)-(2,4-dimethoxyphenyl)-(oxan-4-yl)methanamine;hydrochloride (CID 171246686) is (R)-(2,4-dimethoxyphenyl)-(oxan-4-yl)methanamine;hydrochloride.
What is the SMILES notation for (R)-(2,4-dimethoxyphenyl)-(oxan-4-yl)methanamine;hydrochloride?
The canonical SMILES for (R)-(2,4-dimethoxyphenyl)-(oxan-4-yl)methanamine;hydrochloride is COc1ccc([C@H](N)C2CCOCC2)c(OC)c1.Cl.
What is the InChIKey of (R)-(2,4-dimethoxyphenyl)-(oxan-4-yl)methanamine;hydrochloride?
The InChIKey is XBGKSGONLNNSAU-PFEQFJNWSA-N. The full InChI is InChI=1S/C14H21NO3.ClH/c1-16-11-3-4-12(13(9-11)17-2)14(15)10-5-7-18-8-6-10;/h3-4,9-10,14H,5-8,15H2,1-2H3;1H/t14-;/m1./s1.
What are the key properties of (R)-(2,4-dimethoxyphenyl)-(oxan-4-yl)methanamine;hydrochloride?
(R)-(2,4-dimethoxyphenyl)-(oxan-4-yl)methanamine;hydrochloride has a molecular weight of 287.79 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(2,4-dimethoxyphenyl)-(oxan-4-yl)methanamine;hydrochloride is sourced from PubChem (CID 171246686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).