2-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]ethanamine;hydrochloride

C17H22ClNO3 — CID 11666965

IUPAC2-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]ethanamine;hydrochloride
SMILESCOc1cc(COc2ccc(CCN)cc2)cc(OC)c1.Cl
InChIInChI=1S/C17H21NO3.ClH/c1-19-16-9-14(10-17(11-16)20-2)12-21-15-5-3-13(4-6-15)7-8-18;/h3-6,9-11H,7-8,12,18H2,1-2H3;1H
InChIKeyVYYCZTOXMFANJY-UHFFFAOYSA-N
MW323.82 g/mol
LogP3.21
Rot. Bonds7

About 2-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]ethanamine;hydrochloride

2-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]ethanamine;hydrochloride (PubChem CID 11666965) has the molecular formula C17H22ClNO3 and a molecular weight of 323.82 g/mol. Its IUPAC name is 2-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]ethanamine;hydrochloride
PubChem CID11666965
Molecular FormulaC17H22ClNO3
Molecular Weight323.82 g/mol
Exact Mass323.13
IUPAC Name2-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]ethanamine;hydrochloride
SMILESCOc1cc(COc2ccc(CCN)cc2)cc(OC)c1.Cl
InChIInChI=1S/C17H21NO3.ClH/c1-19-16-9-14(10-17(11-16)20-2)12-21-15-5-3-13(4-6-15)7-8-18;/h3-6,9-11H,7-8,12,18H2,1-2H3;1H
InChIKeyVYYCZTOXMFANJY-UHFFFAOYSA-N
XLogP3.21
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(3-chloro-4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 82353296
4-[(3,5-dimethoxyphenoxy)methyl]aniline
CID 43589819
2-[4-[(4-propan-2-ylphenoxy)methyl]phenyl]ethanamine
CID 105350512
2-[4-[(3,4-dimethylphenoxy)methyl]phenyl]ethanamine
CID 105350576
2-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]ethanamine
CID 105350932
2-[4-[(5-ethyl-2-methoxyphenyl)methoxy]phenyl]ethanamine
CID 82353294
2-(4-propoxyphenyl)ethanamine;hydrochloride
CID 3043938
4-(2-aminoethyl)aniline;4-(2-aminoethyl)phenol;2-(4-methoxyphenyl)ethanamine
CID 70275717
3-(4-methoxyphenyl)propan-1-amine;hydrochloride
CID 3029814
3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenol
CID 54586280
2-[4-[3-(4-phenylmethoxyphenoxy)propoxy]phenyl]ethanamine
CID 170868663
2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethanamine
CID 105348964

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]ethanamine;hydrochloride?
The IUPAC name of 2-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]ethanamine;hydrochloride (CID 11666965) is 2-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]ethanamine;hydrochloride?
The canonical SMILES for 2-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]ethanamine;hydrochloride is COc1cc(COc2ccc(CCN)cc2)cc(OC)c1.Cl.
What is the InChIKey of 2-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]ethanamine;hydrochloride?
The InChIKey is VYYCZTOXMFANJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3.ClH/c1-19-16-9-14(10-17(11-16)20-2)12-21-15-5-3-13(4-6-15)7-8-18;/h3-6,9-11H,7-8,12,18H2,1-2H3;1H.
What are the key properties of 2-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]ethanamine;hydrochloride?
2-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]ethanamine;hydrochloride has a molecular weight of 323.82 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]ethanamine;hydrochloride is sourced from PubChem (CID 11666965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).