(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine;hydrochloride

C16H20ClNO2 — CID 171212981

IUPAC(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine;hydrochloride
SMILESCOc1ccc([C@@H](C)N)cc1OCc1ccccc1.Cl
InChIInChI=1S/C16H19NO2.ClH/c1-12(17)14-8-9-15(18-2)16(10-14)19-11-13-6-4-3-5-7-13;/h3-10,12H,11,17H2,1-2H3;1H/t12-;/m1./s1
InChIKeyMOBUTOCLOHWBAR-UTONKHPSSA-N
MW293.79 g/mol
LogP3.72
Rot. Bonds5

About (1R)-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine;hydrochloride

(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine;hydrochloride (PubChem CID 171212981) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is (1R)-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine;hydrochloride
PubChem CID171212981
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC Name(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine;hydrochloride
SMILESCOc1ccc([C@@H](C)N)cc1OCc1ccccc1.Cl
InChIInChI=1S/C16H19NO2.ClH/c1-12(17)14-8-9-15(18-2)16(10-14)19-11-13-6-4-3-5-7-13;/h3-10,12H,11,17H2,1-2H3;1H/t12-;/m1./s1
InChIKeyMOBUTOCLOHWBAR-UTONKHPSSA-N
XLogP3.72
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-amino-3-(4-methoxy-3-phenylmethoxyphenyl)propan-1-ol;hydrochloride
CID 171213030
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)pentan-1-amine;hydrochloride
CID 171212991
(R)-cyclohexyl-(4-methoxy-3-phenylmethoxyphenyl)methanamine;hydrochloride
CID 171213011
(1R)-3-fluoro-1-(4-methoxy-3-phenylmethoxyphenyl)propan-1-amine
CID 171213002
(1R)-2,2,2-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine
CID 66512512
(1S)-1-(4-methoxy-3-phenylmethoxyphenyl)prop-2-en-1-amine
CID 171232603
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)hexan-1-amine;hydrochloride
CID 171212993
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)pentane-1,5-diamine;hydrochloride
CID 171212979
(S)-(4-methoxy-3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171213015
(1R)-2,2-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171244475
(1R)-1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride
CID 171210806
1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride
CID 22669266

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine;hydrochloride?
The IUPAC name of (1R)-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine;hydrochloride (CID 171212981) is (1R)-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine;hydrochloride.
What is the SMILES notation for (1R)-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine;hydrochloride?
The canonical SMILES for (1R)-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine;hydrochloride is COc1ccc([C@@H](C)N)cc1OCc1ccccc1.Cl.
What is the InChIKey of (1R)-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine;hydrochloride?
The InChIKey is MOBUTOCLOHWBAR-UTONKHPSSA-N. The full InChI is InChI=1S/C16H19NO2.ClH/c1-12(17)14-8-9-15(18-2)16(10-14)19-11-13-6-4-3-5-7-13;/h3-10,12H,11,17H2,1-2H3;1H/t12-;/m1./s1.
What are the key properties of (1R)-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine;hydrochloride?
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine;hydrochloride has a molecular weight of 293.79 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 171212981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).