1,1-difluoro-3-[1-(4-propan-2-yloxyphenyl)ethylamino]propan-2-ol

C14H21F2NO2 — CID 103788003

IUPAC1,1-difluoro-3-[1-(4-propan-2-yloxyphenyl)ethylamino]propan-2-ol
SMILESCC(C)Oc1ccc(C(C)NCC(O)C(F)F)cc1
InChIInChI=1S/C14H21F2NO2/c1-9(2)19-12-6-4-11(5-7-12)10(3)17-8-13(18)14(15)16/h4-7,9-10,13-14,17-18H,8H2,1-3H3
InChIKeyPICQGARKWQRGQZ-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.75
Rot. Bonds7

About 1,1-difluoro-3-[1-(4-propan-2-yloxyphenyl)ethylamino]propan-2-ol

1,1-difluoro-3-[1-(4-propan-2-yloxyphenyl)ethylamino]propan-2-ol (PubChem CID 103788003) has the molecular formula C14H21F2NO2 and a molecular weight of 273.32 g/mol. Its IUPAC name is 1,1-difluoro-3-[1-(4-propan-2-yloxyphenyl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-[1-(4-propan-2-yloxyphenyl)ethylamino]propan-2-ol
PubChem CID103788003
Molecular FormulaC14H21F2NO2
Molecular Weight273.32 g/mol
Exact Mass273.15
IUPAC Name1,1-difluoro-3-[1-(4-propan-2-yloxyphenyl)ethylamino]propan-2-ol
SMILESCC(C)Oc1ccc(C(C)NCC(O)C(F)F)cc1
InChIInChI=1S/C14H21F2NO2/c1-9(2)19-12-6-4-11(5-7-12)10(3)17-8-13(18)14(15)16/h4-7,9-10,13-14,17-18H,8H2,1-3H3
InChIKeyPICQGARKWQRGQZ-UHFFFAOYSA-N
XLogP2.75
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-1-[1-(4-propan-2-yloxyphenyl)ethylamino]pentan-2-ol
CID 103784440
2-[1-(4-propan-2-yloxyphenyl)ethylamino]ethanol
CID 43151137
2,2-diethoxy-N-[1-(4-propan-2-yloxyphenyl)ethyl]ethanamine
CID 79537975
3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-2-methylpropan-1-ol
CID 65031608
2-propan-2-yl-N'-[1-(4-propan-2-yloxyphenyl)ethyl]propane-1,3-diamine
CID 107441417
(1R)-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 30049099
3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-2-hydroxypropanamide
CID 106171785
1,3-bis[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propan-2-ol
CID 71136549
1,1-difluoro-3-[1-(4-imidazol-1-ylphenyl)ethylamino]propan-2-ol
CID 103787996
3,3-dimethyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]butan-1-amine
CID 55155806
N-[1-(4-propan-2-yloxyphenyl)ethyl]pentan-1-amine
CID 43102192
4,4,4-trifluoro-N-[1-(4-propan-2-yloxyphenyl)ethyl]butan-1-amine
CID 81343833

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-[1-(4-propan-2-yloxyphenyl)ethylamino]propan-2-ol?
The IUPAC name of 1,1-difluoro-3-[1-(4-propan-2-yloxyphenyl)ethylamino]propan-2-ol (CID 103788003) is 1,1-difluoro-3-[1-(4-propan-2-yloxyphenyl)ethylamino]propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-[1-(4-propan-2-yloxyphenyl)ethylamino]propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-[1-(4-propan-2-yloxyphenyl)ethylamino]propan-2-ol is CC(C)Oc1ccc(C(C)NCC(O)C(F)F)cc1.
What is the InChIKey of 1,1-difluoro-3-[1-(4-propan-2-yloxyphenyl)ethylamino]propan-2-ol?
The InChIKey is PICQGARKWQRGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO2/c1-9(2)19-12-6-4-11(5-7-12)10(3)17-8-13(18)14(15)16/h4-7,9-10,13-14,17-18H,8H2,1-3H3.
What are the key properties of 1,1-difluoro-3-[1-(4-propan-2-yloxyphenyl)ethylamino]propan-2-ol?
1,1-difluoro-3-[1-(4-propan-2-yloxyphenyl)ethylamino]propan-2-ol has a molecular weight of 273.32 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-[1-(4-propan-2-yloxyphenyl)ethylamino]propan-2-ol is sourced from PubChem (CID 103788003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).