2-bromo-6-[[3-(2-methoxyethoxy)propylamino]methyl]phenol

C13H20BrNO3 — CID 61390555

IUPAC2-bromo-6-[[3-(2-methoxyethoxy)propylamino]methyl]phenol
SMILESCOCCOCCCNCc1cccc(Br)c1O
InChIInChI=1S/C13H20BrNO3/c1-17-8-9-18-7-3-6-15-10-11-4-2-5-12(14)13(11)16/h2,4-5,15-16H,3,6-10H2,1H3
InChIKeyYFGMRNDPWODBKI-UHFFFAOYSA-N
MW318.21 g/mol
LogP2.30
Rot. Bonds9

About 2-bromo-6-[[3-(2-methoxyethoxy)propylamino]methyl]phenol

2-bromo-6-[[3-(2-methoxyethoxy)propylamino]methyl]phenol (PubChem CID 61390555) has the molecular formula C13H20BrNO3 and a molecular weight of 318.21 g/mol. Its IUPAC name is 2-bromo-6-[[3-(2-methoxyethoxy)propylamino]methyl]phenol.

Molecular Properties

Compound Name2-bromo-6-[[3-(2-methoxyethoxy)propylamino]methyl]phenol
PubChem CID61390555
Molecular FormulaC13H20BrNO3
Molecular Weight318.21 g/mol
Exact Mass317.06
IUPAC Name2-bromo-6-[[3-(2-methoxyethoxy)propylamino]methyl]phenol
SMILESCOCCOCCCNCc1cccc(Br)c1O
InChIInChI=1S/C13H20BrNO3/c1-17-8-9-18-7-3-6-15-10-11-4-2-5-12(14)13(11)16/h2,4-5,15-16H,3,6-10H2,1H3
InChIKeyYFGMRNDPWODBKI-UHFFFAOYSA-N
XLogP2.30
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-bromo-6-[(3-methoxypropylamino)methyl]phenol
CID 61390597
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 43225544
N-[(2,3-dichlorophenyl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 28721775
3-[(3-ethoxypropylamino)methyl]benzene-1,2-diol
CID 61319480
N-[(5-bromoquinolin-8-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 115959068
3-chloro-2-[[3-(2-methoxyethoxy)propylamino]methyl]phenol
CID 78959669
2-bromo-6-[(3-methylbutylamino)methyl]phenol
CID 61390268
2-bromo-6-[[2-(4-methoxyphenyl)ethylamino]methyl]phenol
CID 61390265
2-bromo-6-methoxy-4-[[4-(2-methoxyethoxy)butylamino]methyl]phenol
CID 115671182
N'-[(3-bromo-2-fluorophenyl)methyl]-N-(2-methoxyethyl)propane-1,3-diamine
CID 114019833
2-bromo-6-[[4-(2-methoxyethoxy)anilino]methyl]phenol
CID 61391221
2-bromo-6-[(2-methoxypropylamino)methyl]phenol
CID 102696044

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[[3-(2-methoxyethoxy)propylamino]methyl]phenol?
The IUPAC name of 2-bromo-6-[[3-(2-methoxyethoxy)propylamino]methyl]phenol (CID 61390555) is 2-bromo-6-[[3-(2-methoxyethoxy)propylamino]methyl]phenol.
What is the SMILES notation for 2-bromo-6-[[3-(2-methoxyethoxy)propylamino]methyl]phenol?
The canonical SMILES for 2-bromo-6-[[3-(2-methoxyethoxy)propylamino]methyl]phenol is COCCOCCCNCc1cccc(Br)c1O.
What is the InChIKey of 2-bromo-6-[[3-(2-methoxyethoxy)propylamino]methyl]phenol?
The InChIKey is YFGMRNDPWODBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO3/c1-17-8-9-18-7-3-6-15-10-11-4-2-5-12(14)13(11)16/h2,4-5,15-16H,3,6-10H2,1H3.
What are the key properties of 2-bromo-6-[[3-(2-methoxyethoxy)propylamino]methyl]phenol?
2-bromo-6-[[3-(2-methoxyethoxy)propylamino]methyl]phenol has a molecular weight of 318.21 g/mol, XLogP of 2.30, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[[3-(2-methoxyethoxy)propylamino]methyl]phenol is sourced from PubChem (CID 61390555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).