2-[1-[1-(2-bromophenyl)ethylamino]propyl]phenol

C17H20BrNO — CID 43680009

IUPAC2-[1-[1-(2-bromophenyl)ethylamino]propyl]phenol
SMILESCCC(NC(C)c1ccccc1Br)c1ccccc1O
InChIInChI=1S/C17H20BrNO/c1-3-16(14-9-5-7-11-17(14)20)19-12(2)13-8-4-6-10-15(13)18/h4-12,16,19-20H,3H2,1-2H3
InChIKeyXSYQWIFANAISFN-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.96
Rot. Bonds5

About 2-[1-[1-(2-bromophenyl)ethylamino]propyl]phenol

2-[1-[1-(2-bromophenyl)ethylamino]propyl]phenol (PubChem CID 43680009) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 2-[1-[1-(2-bromophenyl)ethylamino]propyl]phenol.

Molecular Properties

Compound Name2-[1-[1-(2-bromophenyl)ethylamino]propyl]phenol
PubChem CID43680009
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name2-[1-[1-(2-bromophenyl)ethylamino]propyl]phenol
SMILESCCC(NC(C)c1ccccc1Br)c1ccccc1O
InChIInChI=1S/C17H20BrNO/c1-3-16(14-9-5-7-11-17(14)20)19-12(2)13-8-4-6-10-15(13)18/h4-12,16,19-20H,3H2,1-2H3
InChIKeyXSYQWIFANAISFN-UHFFFAOYSA-N
XLogP4.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-[[(1R)-1-(2-chlorophenyl)ethyl]amino]propyl]phenol
CID 81377530
2-[1-(1-phenylethylamino)propyl]phenol
CID 43189917
N-[1-(2-bromophenyl)ethyl]-1-(4-fluorophenyl)propan-1-amine
CID 43680068
N-[(1R)-1-(2-bromophenyl)ethyl]-1-(4-ethylphenyl)propan-1-amine
CID 81378982
N-[1-(2-bromophenyl)ethyl]-1-(furan-2-yl)propan-1-amine
CID 62632696
2-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol
CID 81356961
4-bromo-2-[1-[1-(2-methylphenyl)ethylamino]propyl]phenol
CID 43203242
2-[1-[1-(4-fluorophenyl)ethylamino]propyl]phenol
CID 43201977
N-[(1R)-1-(2-bromophenyl)ethyl]-1-(3-chlorophenyl)propan-1-amine
CID 81383700
N-[(1R)-1-(2-bromophenyl)ethyl]-2-methylpentan-3-amine
CID 81378481
2-[1-[[(2R)-1-hydroxypropan-2-yl]amino]propyl]phenol
CID 114983222
(2R)-2-[1-(2-bromophenyl)propylamino]propan-1-ol
CID 103778600

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(2-bromophenyl)ethylamino]propyl]phenol?
The IUPAC name of 2-[1-[1-(2-bromophenyl)ethylamino]propyl]phenol (CID 43680009) is 2-[1-[1-(2-bromophenyl)ethylamino]propyl]phenol.
What is the SMILES notation for 2-[1-[1-(2-bromophenyl)ethylamino]propyl]phenol?
The canonical SMILES for 2-[1-[1-(2-bromophenyl)ethylamino]propyl]phenol is CCC(NC(C)c1ccccc1Br)c1ccccc1O.
What is the InChIKey of 2-[1-[1-(2-bromophenyl)ethylamino]propyl]phenol?
The InChIKey is XSYQWIFANAISFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-3-16(14-9-5-7-11-17(14)20)19-12(2)13-8-4-6-10-15(13)18/h4-12,16,19-20H,3H2,1-2H3.
What are the key properties of 2-[1-[1-(2-bromophenyl)ethylamino]propyl]phenol?
2-[1-[1-(2-bromophenyl)ethylamino]propyl]phenol has a molecular weight of 334.26 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(2-bromophenyl)ethylamino]propyl]phenol is sourced from PubChem (CID 43680009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).