3-[1-[1-(4-bromophenyl)propylamino]ethyl]phenol

C17H20BrNO — CID 43692345

IUPAC3-[1-[1-(4-bromophenyl)propylamino]ethyl]phenol
SMILESCCC(NC(C)c1cccc(O)c1)c1ccc(Br)cc1
InChIInChI=1S/C17H20BrNO/c1-3-17(13-7-9-15(18)10-8-13)19-12(2)14-5-4-6-16(20)11-14/h4-12,17,19-20H,3H2,1-2H3
InChIKeySVAFYNTWSHLEJJ-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.96
Rot. Bonds5

About 3-[1-[1-(4-bromophenyl)propylamino]ethyl]phenol

3-[1-[1-(4-bromophenyl)propylamino]ethyl]phenol (PubChem CID 43692345) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 3-[1-[1-(4-bromophenyl)propylamino]ethyl]phenol.

Molecular Properties

Compound Name3-[1-[1-(4-bromophenyl)propylamino]ethyl]phenol
PubChem CID43692345
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name3-[1-[1-(4-bromophenyl)propylamino]ethyl]phenol
SMILESCCC(NC(C)c1cccc(O)c1)c1ccc(Br)cc1
InChIInChI=1S/C17H20BrNO/c1-3-17(13-7-9-15(18)10-8-13)19-12(2)14-5-4-6-16(20)11-14/h4-12,17,19-20H,3H2,1-2H3
InChIKeySVAFYNTWSHLEJJ-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

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Related Compounds

1-(4-bromophenyl)-N-[1-(3-bromophenyl)ethyl]propan-1-amine
CID 43673216
4-[1-[[(1S)-1-(3-bromophenyl)ethyl]amino]propyl]phenol
CID 81381060
1-(4-bromophenyl)-N-[(1S)-1-phenylethyl]propan-1-amine
CID 81350927
1-(4-bromophenyl)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 81350988
3-[1-[1-(3-bromophenyl)ethylamino]ethyl]phenol
CID 43673297
N-[1-(3-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-1-amine
CID 43673292
N-[(1R)-1-(4-bromophenyl)ethyl]-1-(3-fluorophenyl)propan-1-amine
CID 114986430
4-[1-[1-(3-fluorophenyl)ethylamino]propyl]phenol
CID 43205938
3-[1-(1-phenylpentylamino)ethyl]phenol
CID 43791599
N-[(1S)-1-(4-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-1-amine
CID 81354126
1-(4-bromophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81353537
3-[(1S)-1-[[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]amino]ethyl]phenol
CID 124850642

Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-(4-bromophenyl)propylamino]ethyl]phenol?
The IUPAC name of 3-[1-[1-(4-bromophenyl)propylamino]ethyl]phenol (CID 43692345) is 3-[1-[1-(4-bromophenyl)propylamino]ethyl]phenol.
What is the SMILES notation for 3-[1-[1-(4-bromophenyl)propylamino]ethyl]phenol?
The canonical SMILES for 3-[1-[1-(4-bromophenyl)propylamino]ethyl]phenol is CCC(NC(C)c1cccc(O)c1)c1ccc(Br)cc1.
What is the InChIKey of 3-[1-[1-(4-bromophenyl)propylamino]ethyl]phenol?
The InChIKey is SVAFYNTWSHLEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-3-17(13-7-9-15(18)10-8-13)19-12(2)14-5-4-6-16(20)11-14/h4-12,17,19-20H,3H2,1-2H3.
What are the key properties of 3-[1-[1-(4-bromophenyl)propylamino]ethyl]phenol?
3-[1-[1-(4-bromophenyl)propylamino]ethyl]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 3-[1-[1-(4-bromophenyl)propylamino]ethyl]phenol is sourced from PubChem (CID 43692345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).