3-[1-[2-(4-bromophenyl)propan-2-ylamino]ethyl]phenol

C17H20BrNO — CID 43740839

IUPAC3-[1-[2-(4-bromophenyl)propan-2-ylamino]ethyl]phenol
SMILESCC(NC(C)(C)c1ccc(Br)cc1)c1cccc(O)c1
InChIInChI=1S/C17H20BrNO/c1-12(13-5-4-6-16(20)11-13)19-17(2,3)14-7-9-15(18)10-8-14/h4-12,19-20H,1-3H3
InChIKeyAUJVCZWWAILATM-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.74
Rot. Bonds4

About 3-[1-[2-(4-bromophenyl)propan-2-ylamino]ethyl]phenol

3-[1-[2-(4-bromophenyl)propan-2-ylamino]ethyl]phenol (PubChem CID 43740839) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 3-[1-[2-(4-bromophenyl)propan-2-ylamino]ethyl]phenol.

Molecular Properties

Compound Name3-[1-[2-(4-bromophenyl)propan-2-ylamino]ethyl]phenol
PubChem CID43740839
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name3-[1-[2-(4-bromophenyl)propan-2-ylamino]ethyl]phenol
SMILESCC(NC(C)(C)c1ccc(Br)cc1)c1cccc(O)c1
InChIInChI=1S/C17H20BrNO/c1-12(13-5-4-6-16(20)11-13)19-17(2,3)14-7-9-15(18)10-8-14/h4-12,19-20H,1-3H3
InChIKeyAUJVCZWWAILATM-UHFFFAOYSA-N
XLogP4.74
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-N-[1-(4-chlorophenyl)ethyl]propan-2-amine
CID 43740758
3-[1-[1-(3-bromophenyl)ethylamino]ethyl]phenol
CID 43673297
3-[1-(2,6-dibromoanilino)ethyl]phenol
CID 107597330
3-[1-(2,3,3-trimethylbutylamino)ethyl]phenol
CID 83141752
3-[1-[1-(4-bromophenyl)propylamino]ethyl]phenol
CID 43692345
methyl 2-[1-(3-hydroxyphenyl)ethylamino]-2-methylpropanoate
CID 43726102
3-[1-(hydroxyamino)ethyl]phenol
CID 82684421
3-[1-(4-bromophenyl)ethylamino]phenol
CID 43206955
3-[1-[[2-(dimethylamino)-2-methylpropyl]amino]ethyl]phenol
CID 43203138
2-(4-bromophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]propan-2-amine
CID 43740817
2,4-dibromo-N-[1-(3-hydroxyphenyl)ethyl]benzamide
CID 103882711
3-[1-(2,2-difluoroethylamino)ethyl]phenol
CID 115405831

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(4-bromophenyl)propan-2-ylamino]ethyl]phenol?
The IUPAC name of 3-[1-[2-(4-bromophenyl)propan-2-ylamino]ethyl]phenol (CID 43740839) is 3-[1-[2-(4-bromophenyl)propan-2-ylamino]ethyl]phenol.
What is the SMILES notation for 3-[1-[2-(4-bromophenyl)propan-2-ylamino]ethyl]phenol?
The canonical SMILES for 3-[1-[2-(4-bromophenyl)propan-2-ylamino]ethyl]phenol is CC(NC(C)(C)c1ccc(Br)cc1)c1cccc(O)c1.
What is the InChIKey of 3-[1-[2-(4-bromophenyl)propan-2-ylamino]ethyl]phenol?
The InChIKey is AUJVCZWWAILATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-12(13-5-4-6-16(20)11-13)19-17(2,3)14-7-9-15(18)10-8-14/h4-12,19-20H,1-3H3.
What are the key properties of 3-[1-[2-(4-bromophenyl)propan-2-ylamino]ethyl]phenol?
3-[1-[2-(4-bromophenyl)propan-2-ylamino]ethyl]phenol has a molecular weight of 334.26 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(4-bromophenyl)propan-2-ylamino]ethyl]phenol is sourced from PubChem (CID 43740839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).