(1S)-2,2-difluoro-1-(2-phenylmethoxyphenyl)ethanamine

C15H15F2NO — CID 171251122

IUPAC(1S)-2,2-difluoro-1-(2-phenylmethoxyphenyl)ethanamine
SMILESN[C@@H](c1ccccc1OCc1ccccc1)C(F)F
InChIInChI=1S/C15H15F2NO/c16-15(17)14(18)12-8-4-5-9-13(12)19-10-11-6-2-1-3-7-11/h1-9,14-15H,10,18H2/t14-/m0/s1
InChIKeyJIQAZUWXJYSMNZ-AWEZNQCLSA-N
MW263.29 g/mol
LogP3.53
Rot. Bonds5

About (1S)-2,2-difluoro-1-(2-phenylmethoxyphenyl)ethanamine

(1S)-2,2-difluoro-1-(2-phenylmethoxyphenyl)ethanamine (PubChem CID 171251122) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is (1S)-2,2-difluoro-1-(2-phenylmethoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-2,2-difluoro-1-(2-phenylmethoxyphenyl)ethanamine
PubChem CID171251122
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC Name(1S)-2,2-difluoro-1-(2-phenylmethoxyphenyl)ethanamine
SMILESN[C@@H](c1ccccc1OCc1ccccc1)C(F)F
InChIInChI=1S/C15H15F2NO/c16-15(17)14(18)12-8-4-5-9-13(12)19-10-11-6-2-1-3-7-11/h1-9,14-15H,10,18H2/t14-/m0/s1
InChIKeyJIQAZUWXJYSMNZ-AWEZNQCLSA-N
XLogP3.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(2-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 71758033
(1R,2S)-1-amino-3-methyl-1-(2-phenylmethoxyphenyl)pentan-2-ol
CID 171265324
2-amino-2-(2-phenylmethoxyphenyl)ethanol
CID 77130440
(1R)-1-(2-phenylmethoxyphenyl)prop-2-en-1-amine;hydrochloride
CID 171214268
2-(2-phenylmethoxyphenyl)butane-1,3-diamine
CID 57280204
(S)-cyclobutyl-(2-phenylmethoxyphenyl)methanamine
CID 171233917
(S)-cyclopentyl-(2-phenylmethoxyphenyl)methanamine
CID 171233921
(3R)-3-amino-2,2-dimethyl-3-(2-phenylmethoxyphenyl)propan-1-ol
CID 171251128
1-[2,3-bis(phenylmethoxy)phenyl]ethane-1,2-diamine
CID 22756712
(1R)-1-(2-phenylmethoxyphenyl)pentan-1-amine;hydrochloride
CID 171214274
1-[1,3-bis(2-phenylmethoxyphenyl)propan-2-yl]-2-phenylmethoxybenzene
CID 123524365
(1S)-1-(2-phenylmethoxyphenyl)propan-1-ol
CID 63365062

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-difluoro-1-(2-phenylmethoxyphenyl)ethanamine?
The IUPAC name of (1S)-2,2-difluoro-1-(2-phenylmethoxyphenyl)ethanamine (CID 171251122) is (1S)-2,2-difluoro-1-(2-phenylmethoxyphenyl)ethanamine.
What is the SMILES notation for (1S)-2,2-difluoro-1-(2-phenylmethoxyphenyl)ethanamine?
The canonical SMILES for (1S)-2,2-difluoro-1-(2-phenylmethoxyphenyl)ethanamine is N[C@@H](c1ccccc1OCc1ccccc1)C(F)F.
What is the InChIKey of (1S)-2,2-difluoro-1-(2-phenylmethoxyphenyl)ethanamine?
The InChIKey is JIQAZUWXJYSMNZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H15F2NO/c16-15(17)14(18)12-8-4-5-9-13(12)19-10-11-6-2-1-3-7-11/h1-9,14-15H,10,18H2/t14-/m0/s1.
What are the key properties of (1S)-2,2-difluoro-1-(2-phenylmethoxyphenyl)ethanamine?
(1S)-2,2-difluoro-1-(2-phenylmethoxyphenyl)ethanamine has a molecular weight of 263.29 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-difluoro-1-(2-phenylmethoxyphenyl)ethanamine is sourced from PubChem (CID 171251122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).