azane;4-methoxy-2-methyl-1-phenylmethoxybenzene;hydrochloride

C15H20ClNO2 — CID 174629169

IUPACazane;4-methoxy-2-methyl-1-phenylmethoxybenzene;hydrochloride
SMILESCOc1ccc(OCc2ccccc2)c(C)c1.Cl.N
InChIInChI=1S/C15H16O2.ClH.H3N/c1-12-10-14(16-2)8-9-15(12)17-11-13-6-4-3-5-7-13;;/h3-10H,11H2,1-2H3;1H;1H3
InChIKeyVXPDTWAJRVZYCA-UHFFFAOYSA-N
MW281.78 g/mol
LogP4.17
Rot. Bonds4

About azane;4-methoxy-2-methyl-1-phenylmethoxybenzene;hydrochloride

azane;4-methoxy-2-methyl-1-phenylmethoxybenzene;hydrochloride (PubChem CID 174629169) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is azane;4-methoxy-2-methyl-1-phenylmethoxybenzene;hydrochloride.

Molecular Properties

Compound Nameazane;4-methoxy-2-methyl-1-phenylmethoxybenzene;hydrochloride
PubChem CID174629169
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Nameazane;4-methoxy-2-methyl-1-phenylmethoxybenzene;hydrochloride
SMILESCOc1ccc(OCc2ccccc2)c(C)c1.Cl.N
InChIInChI=1S/C15H16O2.ClH.H3N/c1-12-10-14(16-2)8-9-15(12)17-11-13-6-4-3-5-7-13;;/h3-10H,11H2,1-2H3;1H;1H3
InChIKeyVXPDTWAJRVZYCA-UHFFFAOYSA-N
XLogP4.17
TPSA53.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methyl-4-phenylmethoxyphenyl) acetate
CID 129245175
1-methoxy-3-[(2-methylphenoxy)methyl]benzene
CID 59416569
2-ethynyl-4-methoxy-1-phenylmethoxybenzene
CID 154814757
[4-[(4-methoxyphenyl)methoxy]-3-methylphenyl]methanamine
CID 54934427
2-methyl-4-(4-methylphenyl)-1-phenylmethoxybenzene
CID 142190093
4-methoxy-2-[(E)-2-methoxyethenyl]-1-phenylmethoxybenzene
CID 101010762
1,1'-biphenyl;1,4-dimethoxy-2-methylbenzene
CID 159369138
(2-methyl-4-phenylmethoxyphenoxy)boronic acid
CID 142688338
sodium 5-methoxy-2-phenylmethoxybenzenesulfonate
CID 112758476
2-methoxy-4-(3-methyl-4-phenylmethoxyphenyl)phenol
CID 145389555
(5-methoxy-2-phenylmethoxyphenyl)methyl-triphenylphosphanium
CID 122368996
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541

Frequently Asked Questions

What is the IUPAC name of azane;4-methoxy-2-methyl-1-phenylmethoxybenzene;hydrochloride?
The IUPAC name of azane;4-methoxy-2-methyl-1-phenylmethoxybenzene;hydrochloride (CID 174629169) is azane;4-methoxy-2-methyl-1-phenylmethoxybenzene;hydrochloride.
What is the SMILES notation for azane;4-methoxy-2-methyl-1-phenylmethoxybenzene;hydrochloride?
The canonical SMILES for azane;4-methoxy-2-methyl-1-phenylmethoxybenzene;hydrochloride is COc1ccc(OCc2ccccc2)c(C)c1.Cl.N.
What is the InChIKey of azane;4-methoxy-2-methyl-1-phenylmethoxybenzene;hydrochloride?
The InChIKey is VXPDTWAJRVZYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2.ClH.H3N/c1-12-10-14(16-2)8-9-15(12)17-11-13-6-4-3-5-7-13;;/h3-10H,11H2,1-2H3;1H;1H3.
What are the key properties of azane;4-methoxy-2-methyl-1-phenylmethoxybenzene;hydrochloride?
azane;4-methoxy-2-methyl-1-phenylmethoxybenzene;hydrochloride has a molecular weight of 281.78 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;4-methoxy-2-methyl-1-phenylmethoxybenzene;hydrochloride is sourced from PubChem (CID 174629169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).