3-[1-(4-propan-2-yloxyphenyl)ethylamino]phenol

C17H21NO2 — CID 43207017

IUPAC3-[1-(4-propan-2-yloxyphenyl)ethylamino]phenol
SMILESCC(C)Oc1ccc(C(C)Nc2cccc(O)c2)cc1
InChIInChI=1S/C17H21NO2/c1-12(2)20-17-9-7-14(8-10-17)13(3)18-15-5-4-6-16(19)11-15/h4-13,18-19H,1-3H3
InChIKeyOBNMMJVFXLZGSA-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.35
Rot. Bonds5

About 3-[1-(4-propan-2-yloxyphenyl)ethylamino]phenol

3-[1-(4-propan-2-yloxyphenyl)ethylamino]phenol (PubChem CID 43207017) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-[1-(4-propan-2-yloxyphenyl)ethylamino]phenol.

Molecular Properties

Compound Name3-[1-(4-propan-2-yloxyphenyl)ethylamino]phenol
PubChem CID43207017
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name3-[1-(4-propan-2-yloxyphenyl)ethylamino]phenol
SMILESCC(C)Oc1ccc(C(C)Nc2cccc(O)c2)cc1
InChIInChI=1S/C17H21NO2/c1-12(2)20-17-9-7-14(8-10-17)13(3)18-15-5-4-6-16(19)11-15/h4-13,18-19H,1-3H3
InChIKeyOBNMMJVFXLZGSA-UHFFFAOYSA-N
XLogP4.35
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(4-methoxyphenyl)ethylamino]phenol
CID 43206982
3-[1-(4-bromophenyl)ethylamino]phenol
CID 43206955
N-[1-(4-propan-2-yloxyphenyl)ethyl]pyridin-3-amine
CID 43190598
3-[1-(4-nitrophenyl)ethylamino]phenol
CID 43297394
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-fluoroaniline
CID 43099103
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-iodoaniline
CID 43124494
4-chloro-3-fluoro-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline
CID 43721459
3-[1-(4-hydroxyphenyl)ethylamino]benzamide
CID 43202853
benzene-1,3-diol;3-propan-2-yloxyphenol
CID 159090607
3-chloro-5-fluoro-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline
CID 107363886
(1R)-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 30049099
4-[1-(3-ethynylanilino)ethyl]phenol
CID 43189626

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-propan-2-yloxyphenyl)ethylamino]phenol?
The IUPAC name of 3-[1-(4-propan-2-yloxyphenyl)ethylamino]phenol (CID 43207017) is 3-[1-(4-propan-2-yloxyphenyl)ethylamino]phenol.
What is the SMILES notation for 3-[1-(4-propan-2-yloxyphenyl)ethylamino]phenol?
The canonical SMILES for 3-[1-(4-propan-2-yloxyphenyl)ethylamino]phenol is CC(C)Oc1ccc(C(C)Nc2cccc(O)c2)cc1.
What is the InChIKey of 3-[1-(4-propan-2-yloxyphenyl)ethylamino]phenol?
The InChIKey is OBNMMJVFXLZGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12(2)20-17-9-7-14(8-10-17)13(3)18-15-5-4-6-16(19)11-15/h4-13,18-19H,1-3H3.
What are the key properties of 3-[1-(4-propan-2-yloxyphenyl)ethylamino]phenol?
3-[1-(4-propan-2-yloxyphenyl)ethylamino]phenol has a molecular weight of 271.36 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-propan-2-yloxyphenyl)ethylamino]phenol is sourced from PubChem (CID 43207017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).