(2S)-5-[3-(difluoromethoxy)-5-ethyl-4-fluorophenyl]pentan-2-amine

C14H20F3NO — CID 90212606

IUPAC(2S)-5-[3-(difluoromethoxy)-5-ethyl-4-fluorophenyl]pentan-2-amine
SMILESCCc1cc(CCC[C@H](C)N)cc(OC(F)F)c1F
InChIInChI=1S/C14H20F3NO/c1-3-11-7-10(6-4-5-9(2)18)8-12(13(11)15)19-14(16)17/h7-9,14H,3-6,18H2,1-2H3/t9-/m0/s1
InChIKeyCAHBHYOQYJZGMW-VIFPVBQESA-N
MW275.31 g/mol
LogP3.66
Rot. Bonds7

About (2S)-5-[3-(difluoromethoxy)-5-ethyl-4-fluorophenyl]pentan-2-amine

(2S)-5-[3-(difluoromethoxy)-5-ethyl-4-fluorophenyl]pentan-2-amine (PubChem CID 90212606) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is (2S)-5-[3-(difluoromethoxy)-5-ethyl-4-fluorophenyl]pentan-2-amine.

Molecular Properties

Compound Name(2S)-5-[3-(difluoromethoxy)-5-ethyl-4-fluorophenyl]pentan-2-amine
PubChem CID90212606
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name(2S)-5-[3-(difluoromethoxy)-5-ethyl-4-fluorophenyl]pentan-2-amine
SMILESCCc1cc(CCC[C@H](C)N)cc(OC(F)F)c1F
InChIInChI=1S/C14H20F3NO/c1-3-11-7-10(6-4-5-9(2)18)8-12(13(11)15)19-14(16)17/h7-9,14H,3-6,18H2,1-2H3/t9-/m0/s1
InChIKeyCAHBHYOQYJZGMW-VIFPVBQESA-N
XLogP3.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-ethoxy-3-fluorophenyl)pentan-2-amine
CID 116925039
5-[4-fluoro-3-methylsulfanyl-5-(trifluoromethyl)phenyl]pentan-2-amine
CID 123889780
4-(4-ethyl-3-methoxyphenyl)butan-2-amine
CID 118279101
3-(3-bromo-5-ethyl-4-fluorophenyl)propan-1-amine
CID 117404097
1-(3-chloro-5-ethyl-4-fluorophenyl)propan-2-amine
CID 117307518
(2S)-5-(2,3-difluoro-5-methylphenyl)pentan-2-amine
CID 90212679
1,2-bis(difluoromethoxy)-4-ethylbenzene
CID 70298002
(2R)-5-[3-tert-butyl-5-(chloromethyl)phenyl]pentan-2-amine
CID 90210403
5-(3-methyl-5-methylsulfanylphenyl)pentan-2-amine
CID 123273129
ethyl 3-[3-(difluoromethoxy)-4-fluorophenyl]propanoate
CID 134632500
5-[3-methylsulfanyl-5-(trifluoromethyl)phenyl]pentan-2-amine
CID 123512509
5-(2-fluoro-5-methylphenoxy)pentan-2-amine
CID 64853835

Frequently Asked Questions

What is the IUPAC name of (2S)-5-[3-(difluoromethoxy)-5-ethyl-4-fluorophenyl]pentan-2-amine?
The IUPAC name of (2S)-5-[3-(difluoromethoxy)-5-ethyl-4-fluorophenyl]pentan-2-amine (CID 90212606) is (2S)-5-[3-(difluoromethoxy)-5-ethyl-4-fluorophenyl]pentan-2-amine.
What is the SMILES notation for (2S)-5-[3-(difluoromethoxy)-5-ethyl-4-fluorophenyl]pentan-2-amine?
The canonical SMILES for (2S)-5-[3-(difluoromethoxy)-5-ethyl-4-fluorophenyl]pentan-2-amine is CCc1cc(CCC[C@H](C)N)cc(OC(F)F)c1F.
What is the InChIKey of (2S)-5-[3-(difluoromethoxy)-5-ethyl-4-fluorophenyl]pentan-2-amine?
The InChIKey is CAHBHYOQYJZGMW-VIFPVBQESA-N. The full InChI is InChI=1S/C14H20F3NO/c1-3-11-7-10(6-4-5-9(2)18)8-12(13(11)15)19-14(16)17/h7-9,14H,3-6,18H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-5-[3-(difluoromethoxy)-5-ethyl-4-fluorophenyl]pentan-2-amine?
(2S)-5-[3-(difluoromethoxy)-5-ethyl-4-fluorophenyl]pentan-2-amine has a molecular weight of 275.31 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-[3-(difluoromethoxy)-5-ethyl-4-fluorophenyl]pentan-2-amine is sourced from PubChem (CID 90212606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).