2-bromo-4-[[1-(4-methylphenyl)propylamino]methyl]phenol

C17H20BrNO — CID 60657857

IUPAC2-bromo-4-[[1-(4-methylphenyl)propylamino]methyl]phenol
SMILESCCC(NCc1ccc(O)c(Br)c1)c1ccc(C)cc1
InChIInChI=1S/C17H20BrNO/c1-3-16(14-7-4-12(2)5-8-14)19-11-13-6-9-17(20)15(18)10-13/h4-10,16,19-20H,3,11H2,1-2H3
InChIKeyALJOYNZORDBPQJ-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.70
Rot. Bonds5

About 2-bromo-4-[[1-(4-methylphenyl)propylamino]methyl]phenol

2-bromo-4-[[1-(4-methylphenyl)propylamino]methyl]phenol (PubChem CID 60657857) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 2-bromo-4-[[1-(4-methylphenyl)propylamino]methyl]phenol.

Molecular Properties

Compound Name2-bromo-4-[[1-(4-methylphenyl)propylamino]methyl]phenol
PubChem CID60657857
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name2-bromo-4-[[1-(4-methylphenyl)propylamino]methyl]phenol
SMILESCCC(NCc1ccc(O)c(Br)c1)c1ccc(C)cc1
InChIInChI=1S/C17H20BrNO/c1-3-16(14-7-4-12(2)5-8-14)19-11-13-6-9-17(20)15(18)10-13/h4-10,16,19-20H,3,11H2,1-2H3
InChIKeyALJOYNZORDBPQJ-UHFFFAOYSA-N
XLogP4.70
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 ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dimethyl-4-[[1-(4-methylphenyl)propylamino]methyl]phenol
CID 43221263
1-(4-methylphenyl)-N-[(3-methylphenyl)methyl]propan-1-amine
CID 43080790
2-bromo-4-[(1-hydroxybutan-2-ylamino)methyl]phenol
CID 60657425
1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]propan-1-amine
CID 43081616
2-bromo-4-[(4-methylanilino)methyl]phenol
CID 55025634
2-bromo-4-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]phenol
CID 81353451
2-bromo-4-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenol
CID 114985567
2-bromo-4-[[[(1R)-1-phenylethyl]amino]methyl]phenol
CID 81351567
methyl 2-[(3-bromo-4-hydroxyphenyl)methylamino]butanoate
CID 114283726
4-methyl-2-[(1-phenylpropylamino)methyl]phenol
CID 55206089
N-[(3-bromo-4-methoxyphenyl)methyl]-1-phenylpropan-1-amine
CID 62048590
N-methyl-3-[[[(1R)-1-(4-methylphenyl)propyl]amino]methyl]benzamide
CID 97230696

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[[1-(4-methylphenyl)propylamino]methyl]phenol?
The IUPAC name of 2-bromo-4-[[1-(4-methylphenyl)propylamino]methyl]phenol (CID 60657857) is 2-bromo-4-[[1-(4-methylphenyl)propylamino]methyl]phenol.
What is the SMILES notation for 2-bromo-4-[[1-(4-methylphenyl)propylamino]methyl]phenol?
The canonical SMILES for 2-bromo-4-[[1-(4-methylphenyl)propylamino]methyl]phenol is CCC(NCc1ccc(O)c(Br)c1)c1ccc(C)cc1.
What is the InChIKey of 2-bromo-4-[[1-(4-methylphenyl)propylamino]methyl]phenol?
The InChIKey is ALJOYNZORDBPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-3-16(14-7-4-12(2)5-8-14)19-11-13-6-9-17(20)15(18)10-13/h4-10,16,19-20H,3,11H2,1-2H3.
What are the key properties of 2-bromo-4-[[1-(4-methylphenyl)propylamino]methyl]phenol?
2-bromo-4-[[1-(4-methylphenyl)propylamino]methyl]phenol has a molecular weight of 334.26 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[[1-(4-methylphenyl)propylamino]methyl]phenol is sourced from PubChem (CID 60657857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).