(1R)-1-(3,5-dimethyl-4-phenylmethoxyphenyl)-2,2-difluoroethanamine

C17H19F2NO — CID 171244432

IUPAC(1R)-1-(3,5-dimethyl-4-phenylmethoxyphenyl)-2,2-difluoroethanamine
SMILESCc1cc([C@@H](N)C(F)F)cc(C)c1OCc1ccccc1
InChIInChI=1S/C17H19F2NO/c1-11-8-14(15(20)17(18)19)9-12(2)16(11)21-10-13-6-4-3-5-7-13/h3-9,15,17H,10,20H2,1-2H3/t15-/m1/s1
InChIKeyRIHNCCMGMLXNGN-OAHLLOKOSA-N
MW291.34 g/mol
LogP4.15
Rot. Bonds5

About (1R)-1-(3,5-dimethyl-4-phenylmethoxyphenyl)-2,2-difluoroethanamine

(1R)-1-(3,5-dimethyl-4-phenylmethoxyphenyl)-2,2-difluoroethanamine (PubChem CID 171244432) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is (1R)-1-(3,5-dimethyl-4-phenylmethoxyphenyl)-2,2-difluoroethanamine.

Molecular Properties

Compound Name(1R)-1-(3,5-dimethyl-4-phenylmethoxyphenyl)-2,2-difluoroethanamine
PubChem CID171244432
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name(1R)-1-(3,5-dimethyl-4-phenylmethoxyphenyl)-2,2-difluoroethanamine
SMILESCc1cc([C@@H](N)C(F)F)cc(C)c1OCc1ccccc1
InChIInChI=1S/C17H19F2NO/c1-11-8-14(15(20)17(18)19)9-12(2)16(11)21-10-13-6-4-3-5-7-13/h3-9,15,17H,10,20H2,1-2H3/t15-/m1/s1
InChIKeyRIHNCCMGMLXNGN-OAHLLOKOSA-N
XLogP4.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-fluoroethanamine
CID 171214379
(1S)-1-(3,5-dimethyl-4-phenylmethoxyphenyl)ethane-1,2-diamine
CID 171214381
ethyl (3S)-3-amino-3-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-fluoropropanoate;hydrochloride
CID 171251177
1,3-dimethyl-2-phenylmethoxy-5-propan-2-ylbenzene
CID 59709239
(1R)-1-(3,5-dimethyl-4-phenylmethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171234012
(1S,2R)-2-amino-1-cyclopropyl-2-(3,5-dimethyl-4-phenylmethoxyphenyl)ethanol;hydrochloride
CID 171265367
(1R)-1-(3,5-dimethyl-4-phenylmethoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride
CID 171312680
1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)ethanamine
CID 117402181
(1R,2S)-2-amino-1-cyclopentyl-2-(3,5-dimethyl-4-phenylmethoxyphenyl)ethanol;hydrochloride
CID 171271044
(3S)-3-amino-3-(3,5-dimethyl-4-phenylmethoxyphenyl)propan-1-ol;hydrochloride
CID 171234069
(4S)-4-amino-4-(3,5-dimethyl-4-phenylmethoxyphenyl)butan-1-ol;hydrochloride
CID 171234071
(S)-cyclobutyl-(3,5-dimethyl-4-phenylmethoxyphenyl)methanamine;hydrochloride
CID 171234044

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3,5-dimethyl-4-phenylmethoxyphenyl)-2,2-difluoroethanamine?
The IUPAC name of (1R)-1-(3,5-dimethyl-4-phenylmethoxyphenyl)-2,2-difluoroethanamine (CID 171244432) is (1R)-1-(3,5-dimethyl-4-phenylmethoxyphenyl)-2,2-difluoroethanamine.
What is the SMILES notation for (1R)-1-(3,5-dimethyl-4-phenylmethoxyphenyl)-2,2-difluoroethanamine?
The canonical SMILES for (1R)-1-(3,5-dimethyl-4-phenylmethoxyphenyl)-2,2-difluoroethanamine is Cc1cc([C@@H](N)C(F)F)cc(C)c1OCc1ccccc1.
What is the InChIKey of (1R)-1-(3,5-dimethyl-4-phenylmethoxyphenyl)-2,2-difluoroethanamine?
The InChIKey is RIHNCCMGMLXNGN-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-11-8-14(15(20)17(18)19)9-12(2)16(11)21-10-13-6-4-3-5-7-13/h3-9,15,17H,10,20H2,1-2H3/t15-/m1/s1.
What are the key properties of (1R)-1-(3,5-dimethyl-4-phenylmethoxyphenyl)-2,2-difluoroethanamine?
(1R)-1-(3,5-dimethyl-4-phenylmethoxyphenyl)-2,2-difluoroethanamine has a molecular weight of 291.34 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3,5-dimethyl-4-phenylmethoxyphenyl)-2,2-difluoroethanamine is sourced from PubChem (CID 171244432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).