(2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanamine;hydrochloride

C16H20ClNO3 — CID 54592740

IUPAC(2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanamine;hydrochloride
SMILESCOc1ccc(C(N)c2ccc(OC)cc2OC)cc1.Cl
InChIInChI=1S/C16H19NO3.ClH/c1-18-12-6-4-11(5-7-12)16(17)14-9-8-13(19-2)10-15(14)20-3;/h4-10,16H,17H2,1-3H3;1H
InChIKeyVAXMTYJIIVLKMJ-UHFFFAOYSA-N
MW309.79 g/mol
LogP3.18
Rot. Bonds5

About (2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanamine;hydrochloride

(2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanamine;hydrochloride (PubChem CID 54592740) has the molecular formula C16H20ClNO3 and a molecular weight of 309.79 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanamine;hydrochloride
PubChem CID54592740
Molecular FormulaC16H20ClNO3
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC Name(2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanamine;hydrochloride
SMILESCOc1ccc(C(N)c2ccc(OC)cc2OC)cc1.Cl
InChIInChI=1S/C16H19NO3.ClH/c1-18-12-6-4-11(5-7-12)16(17)14-9-8-13(19-2)10-15(14)20-3;/h4-10,16H,17H2,1-3H3;1H
InChIKeyVAXMTYJIIVLKMJ-UHFFFAOYSA-N
XLogP3.18
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanamine;hydrochloride?
The IUPAC name of (2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanamine;hydrochloride (CID 54592740) is (2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanamine;hydrochloride.
What is the SMILES notation for (2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanamine;hydrochloride?
The canonical SMILES for (2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanamine;hydrochloride is COc1ccc(C(N)c2ccc(OC)cc2OC)cc1.Cl.
What is the InChIKey of (2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanamine;hydrochloride?
The InChIKey is VAXMTYJIIVLKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3.ClH/c1-18-12-6-4-11(5-7-12)16(17)14-9-8-13(19-2)10-15(14)20-3;/h4-10,16H,17H2,1-3H3;1H.
What are the key properties of (2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanamine;hydrochloride?
(2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanamine;hydrochloride has a molecular weight of 309.79 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanamine;hydrochloride is sourced from PubChem (CID 54592740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).