[3-bromo-4-[(dibutylamino)methyl]phenyl]methanol

C16H26BrNO — CID 11624042

IUPAC[3-bromo-4-[(dibutylamino)methyl]phenyl]methanol
SMILESCCCCN(CCCC)Cc1ccc(CO)cc1Br
InChIInChI=1S/C16H26BrNO/c1-3-5-9-18(10-6-4-2)12-15-8-7-14(13-19)11-16(15)17/h7-8,11,19H,3-6,9-10,12-13H2,1-2H3
InChIKeyHPMXLZGNHVTCNK-UHFFFAOYSA-N
MW328.29 g/mol
LogP4.34
Rot. Bonds9

About [3-bromo-4-[(dibutylamino)methyl]phenyl]methanol

[3-bromo-4-[(dibutylamino)methyl]phenyl]methanol (PubChem CID 11624042) has the molecular formula C16H26BrNO and a molecular weight of 328.29 g/mol. Its IUPAC name is [3-bromo-4-[(dibutylamino)methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-bromo-4-[(dibutylamino)methyl]phenyl]methanol
PubChem CID11624042
Molecular FormulaC16H26BrNO
Molecular Weight328.29 g/mol
Exact Mass327.12
IUPAC Name[3-bromo-4-[(dibutylamino)methyl]phenyl]methanol
SMILESCCCCN(CCCC)Cc1ccc(CO)cc1Br
InChIInChI=1S/C16H26BrNO/c1-3-5-9-18(10-6-4-2)12-15-8-7-14(13-19)11-16(15)17/h7-8,11,19H,3-6,9-10,12-13H2,1-2H3
InChIKeyHPMXLZGNHVTCNK-UHFFFAOYSA-N
XLogP4.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-bromo-4-[(dibutylamino)methyl]phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-bromo-4-fluorophenyl)methyl-butylamino]ethanol
CID 60967044
[3-bromo-4-(3-bromopropyl)phenyl]methanol
CID 134625359
N-(2-bromoethyl)-N-[(2-bromophenyl)methyl]butan-1-amine
CID 80672295
N-[(3-bromo-4-methoxyphenyl)methyl]-N-(2-chloroethyl)butan-1-amine
CID 63389227
[3-[(dipropylamino)methyl]-4-methoxyphenyl]methanol
CID 62018767
4-bromo-3-[[butyl(ethyl)amino]methyl]phenol
CID 82974913
N-[(3-bromo-4-methoxyphenyl)methyl]-N-ethylbutan-1-amine
CID 60688736
N-[(3-bromo-4-fluorophenyl)methyl]-N-(2-chloroethyl)butan-1-amine
CID 63389228
N'-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102997500
2-[(3,4-dibromophenyl)methyl-propylamino]ethanol
CID 115880013
N-[(3-bromo-4-fluorophenyl)methyl]-N-ethylbutan-1-amine
CID 55220419
methyl 4-[[(2-amino-2-oxoethyl)-butylamino]methyl]-3-bromobenzoate
CID 102767418

Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-[(dibutylamino)methyl]phenyl]methanol?
The IUPAC name of [3-bromo-4-[(dibutylamino)methyl]phenyl]methanol (CID 11624042) is [3-bromo-4-[(dibutylamino)methyl]phenyl]methanol.
What is the SMILES notation for [3-bromo-4-[(dibutylamino)methyl]phenyl]methanol?
The canonical SMILES for [3-bromo-4-[(dibutylamino)methyl]phenyl]methanol is CCCCN(CCCC)Cc1ccc(CO)cc1Br.
What is the InChIKey of [3-bromo-4-[(dibutylamino)methyl]phenyl]methanol?
The InChIKey is HPMXLZGNHVTCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNO/c1-3-5-9-18(10-6-4-2)12-15-8-7-14(13-19)11-16(15)17/h7-8,11,19H,3-6,9-10,12-13H2,1-2H3.
What are the key properties of [3-bromo-4-[(dibutylamino)methyl]phenyl]methanol?
[3-bromo-4-[(dibutylamino)methyl]phenyl]methanol has a molecular weight of 328.29 g/mol, XLogP of 4.34, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-4-[(dibutylamino)methyl]phenyl]methanol is sourced from PubChem (CID 11624042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).