[2-[1-(3-bromophenyl)propylamino]phenyl]methanol

C16H18BrNO — CID 43790534

IUPAC[2-[1-(3-bromophenyl)propylamino]phenyl]methanol
SMILESCCC(Nc1ccccc1CO)c1cccc(Br)c1
InChIInChI=1S/C16H18BrNO/c1-2-15(12-7-5-8-14(17)10-12)18-16-9-4-3-6-13(16)11-19/h3-10,15,18-19H,2,11H2,1H3
InChIKeyGMYXOXRTQGJELL-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.50
Rot. Bonds5

About [2-[1-(3-bromophenyl)propylamino]phenyl]methanol

[2-[1-(3-bromophenyl)propylamino]phenyl]methanol (PubChem CID 43790534) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is [2-[1-(3-bromophenyl)propylamino]phenyl]methanol.

Molecular Properties

Compound Name[2-[1-(3-bromophenyl)propylamino]phenyl]methanol
PubChem CID43790534
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name[2-[1-(3-bromophenyl)propylamino]phenyl]methanol
SMILESCCC(Nc1ccccc1CO)c1cccc(Br)c1
InChIInChI=1S/C16H18BrNO/c1-2-15(12-7-5-8-14(17)10-12)18-16-9-4-3-6-13(16)11-19/h3-10,15,18-19H,2,11H2,1H3
InChIKeyGMYXOXRTQGJELL-UHFFFAOYSA-N
XLogP4.50
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-bromophenyl)propyl]-2-ethylaniline
CID 43764541
N-[1-(3-bromophenyl)propyl]-2-(trifluoromethyl)aniline
CID 43758454
3-bromo-N-[1-(3-bromophenyl)propyl]-2-methylaniline
CID 107629905
methyl 2-[1-(3-bromophenyl)propylamino]benzoate
CID 43774543
N-[1-(3-bromophenyl)propyl]-2-propan-2-yloxyaniline
CID 43789736
2-(3-bromophenyl)-2-(2-methylanilino)ethanol
CID 61045334
N-[2-[1-(3-bromophenyl)propylamino]ethyl]-2-methylpropanamide
CID 43767682
N-[1-(3-bromophenyl)propyl]-2-chloro-5-methylaniline
CID 107630771
2-[1-(3-bromophenyl)propylamino]-6-fluorobenzonitrile
CID 43778312
N-[1-(3-bromophenyl)propyl]isoquinolin-5-amine
CID 43780492
N-[1-(3-bromophenyl)propyl]-4-propan-2-ylaniline
CID 43760579
3-[1-(3-bromophenyl)propylamino]-2-methylbutan-1-ol
CID 113262006

Frequently Asked Questions

What is the IUPAC name of [2-[1-(3-bromophenyl)propylamino]phenyl]methanol?
The IUPAC name of [2-[1-(3-bromophenyl)propylamino]phenyl]methanol (CID 43790534) is [2-[1-(3-bromophenyl)propylamino]phenyl]methanol.
What is the SMILES notation for [2-[1-(3-bromophenyl)propylamino]phenyl]methanol?
The canonical SMILES for [2-[1-(3-bromophenyl)propylamino]phenyl]methanol is CCC(Nc1ccccc1CO)c1cccc(Br)c1.
What is the InChIKey of [2-[1-(3-bromophenyl)propylamino]phenyl]methanol?
The InChIKey is GMYXOXRTQGJELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-2-15(12-7-5-8-14(17)10-12)18-16-9-4-3-6-13(16)11-19/h3-10,15,18-19H,2,11H2,1H3.
What are the key properties of [2-[1-(3-bromophenyl)propylamino]phenyl]methanol?
[2-[1-(3-bromophenyl)propylamino]phenyl]methanol has a molecular weight of 320.23 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(3-bromophenyl)propylamino]phenyl]methanol is sourced from PubChem (CID 43790534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).