(1R)-2,2-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)ethanamine;hydrochloride

C16H18ClF2NO2 — CID 171244475

IUPAC(1R)-2,2-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)ethanamine;hydrochloride
SMILESCOc1cc([C@@H](N)C(F)F)ccc1OCc1ccccc1.Cl
InChIInChI=1S/C16H17F2NO2.ClH/c1-20-14-9-12(15(19)16(17)18)7-8-13(14)21-10-11-5-3-2-4-6-11;/h2-9,15-16H,10,19H2,1H3;1H/t15-;/m1./s1
InChIKeyIZXHKEIWZADXFI-XFULWGLBSA-N
MW329.77 g/mol
LogP3.96
Rot. Bonds6

About (1R)-2,2-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)ethanamine;hydrochloride

(1R)-2,2-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)ethanamine;hydrochloride (PubChem CID 171244475) has the molecular formula C16H18ClF2NO2 and a molecular weight of 329.77 g/mol. Its IUPAC name is (1R)-2,2-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-2,2-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)ethanamine;hydrochloride
PubChem CID171244475
Molecular FormulaC16H18ClF2NO2
Molecular Weight329.77 g/mol
Exact Mass329.10
IUPAC Name(1R)-2,2-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)ethanamine;hydrochloride
SMILESCOc1cc([C@@H](N)C(F)F)ccc1OCc1ccccc1.Cl
InChIInChI=1S/C16H17F2NO2.ClH/c1-20-14-9-12(15(19)16(17)18)7-8-13(14)21-10-11-5-3-2-4-6-11;/h2-9,15-16H,10,19H2,1H3;1H/t15-;/m1./s1
InChIKeyIZXHKEIWZADXFI-XFULWGLBSA-N
XLogP3.96
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.77
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-4,4,4-trifluoro-1-(3-methoxy-4-phenylmethoxyphenyl)butan-1-amine;hydrochloride
CID 171214534
(1S)-4,4,4-trifluoro-1-(3-methoxy-4-phenylmethoxyphenyl)butan-1-amine;hydrochloride
CID 171234164
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171212981
(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)-3-methylbutan-1-amine
CID 171234157
(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)hexan-1-amine;hydrochloride
CID 171214526
(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol
CID 63364701
(1S)-1-(3,4-dimethoxyphenyl)-2,2-difluoroethanamine
CID 28973213
(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
(S)-cyclopentyl-(3-methoxy-4-phenylmethoxyphenyl)methanamine
CID 171234171
3-amino-1-(3-methoxy-4-phenylmethoxyphenyl)propane-1,2-diol
CID 170829202
(S)-(4-methoxy-3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171213015

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)ethanamine;hydrochloride?
The IUPAC name of (1R)-2,2-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)ethanamine;hydrochloride (CID 171244475) is (1R)-2,2-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)ethanamine;hydrochloride.
What is the SMILES notation for (1R)-2,2-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)ethanamine;hydrochloride?
The canonical SMILES for (1R)-2,2-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)ethanamine;hydrochloride is COc1cc([C@@H](N)C(F)F)ccc1OCc1ccccc1.Cl.
What is the InChIKey of (1R)-2,2-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)ethanamine;hydrochloride?
The InChIKey is IZXHKEIWZADXFI-XFULWGLBSA-N. The full InChI is InChI=1S/C16H17F2NO2.ClH/c1-20-14-9-12(15(19)16(17)18)7-8-13(14)21-10-11-5-3-2-4-6-11;/h2-9,15-16H,10,19H2,1H3;1H/t15-;/m1./s1.
What are the key properties of (1R)-2,2-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)ethanamine;hydrochloride?
(1R)-2,2-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)ethanamine;hydrochloride has a molecular weight of 329.77 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 171244475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).