3-[1-[1-(3-bromophenyl)ethylamino]ethyl]phenol

C16H18BrNO — CID 43673297

IUPAC3-[1-[1-(3-bromophenyl)ethylamino]ethyl]phenol
SMILESCC(NC(C)c1cccc(Br)c1)c1cccc(O)c1
InChIInChI=1S/C16H18BrNO/c1-11(13-5-3-7-15(17)9-13)18-12(2)14-6-4-8-16(19)10-14/h3-12,18-19H,1-2H3
InChIKeyVPOHRAACCGTDKB-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.57
Rot. Bonds4

About 3-[1-[1-(3-bromophenyl)ethylamino]ethyl]phenol

3-[1-[1-(3-bromophenyl)ethylamino]ethyl]phenol (PubChem CID 43673297) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is 3-[1-[1-(3-bromophenyl)ethylamino]ethyl]phenol.

Molecular Properties

Compound Name3-[1-[1-(3-bromophenyl)ethylamino]ethyl]phenol
PubChem CID43673297
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name3-[1-[1-(3-bromophenyl)ethylamino]ethyl]phenol
SMILESCC(NC(C)c1cccc(Br)c1)c1cccc(O)c1
InChIInChI=1S/C16H18BrNO/c1-11(13-5-3-7-15(17)9-13)18-12(2)14-6-4-8-16(19)10-14/h3-12,18-19H,1-2H3
InChIKeyVPOHRAACCGTDKB-UHFFFAOYSA-N
XLogP4.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[[(1S)-1-(3-bromophenyl)ethyl]amino]ethyl]phenol
CID 81381845
N-[(1S)-1-(3-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 81381061
N-[(1R)-1-(3-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 81382148
N-[(1R)-1-(3-bromophenyl)ethyl]-2,4-dimethylpentan-3-amine
CID 112743237
3-[1-[1-(4-bromophenyl)propylamino]ethyl]phenol
CID 43692345
4-[1-[[(1S)-1-(3-bromophenyl)ethyl]amino]propyl]phenol
CID 81381060
3-[1-[1-(3-bromothiophen-2-yl)ethylamino]ethyl]phenol
CID 43791633
2-[[(1S)-1-(3-bromophenyl)ethyl]amino]propanoic acid
CID 81381272
(1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 93318712
(1S)-N-[(1R)-1-(3-bromophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 93318714
3-[1-(2,6-dibromoanilino)ethyl]phenol
CID 107597330
3-[1-(hydroxyamino)ethyl]phenol
CID 82684421

Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-(3-bromophenyl)ethylamino]ethyl]phenol?
The IUPAC name of 3-[1-[1-(3-bromophenyl)ethylamino]ethyl]phenol (CID 43673297) is 3-[1-[1-(3-bromophenyl)ethylamino]ethyl]phenol.
What is the SMILES notation for 3-[1-[1-(3-bromophenyl)ethylamino]ethyl]phenol?
The canonical SMILES for 3-[1-[1-(3-bromophenyl)ethylamino]ethyl]phenol is CC(NC(C)c1cccc(Br)c1)c1cccc(O)c1.
What is the InChIKey of 3-[1-[1-(3-bromophenyl)ethylamino]ethyl]phenol?
The InChIKey is VPOHRAACCGTDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-11(13-5-3-7-15(17)9-13)18-12(2)14-6-4-8-16(19)10-14/h3-12,18-19H,1-2H3.
What are the key properties of 3-[1-[1-(3-bromophenyl)ethylamino]ethyl]phenol?
3-[1-[1-(3-bromophenyl)ethylamino]ethyl]phenol has a molecular weight of 320.23 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(3-bromophenyl)ethylamino]ethyl]phenol is sourced from PubChem (CID 43673297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).