3-chloro-2-[[3-(2-methoxyethoxy)propylamino]methyl]phenol

C13H20ClNO3 — CID 78959669

IUPAC3-chloro-2-[[3-(2-methoxyethoxy)propylamino]methyl]phenol
SMILESCOCCOCCCNCc1c(O)cccc1Cl
InChIInChI=1S/C13H20ClNO3/c1-17-8-9-18-7-3-6-15-10-11-12(14)4-2-5-13(11)16/h2,4-5,15-16H,3,6-10H2,1H3
InChIKeyUZXRBTBPVHTKTN-UHFFFAOYSA-N
MW273.76 g/mol
LogP2.19
Rot. Bonds9

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

3-chloro-2-[[3-(2-methoxyethoxy)propylamino]methyl]phenol (PubChem CID 78959669) has the molecular formula C13H20ClNO3 and a molecular weight of 273.76 g/mol. Its IUPAC name is 3-chloro-2-[[3-(2-methoxyethoxy)propylamino]methyl]phenol.

Molecular Properties

Compound Name3-chloro-2-[[3-(2-methoxyethoxy)propylamino]methyl]phenol
PubChem CID78959669
Molecular FormulaC13H20ClNO3
Molecular Weight273.76 g/mol
Exact Mass273.11
IUPAC Name3-chloro-2-[[3-(2-methoxyethoxy)propylamino]methyl]phenol
SMILESCOCCOCCCNCc1c(O)cccc1Cl
InChIInChI=1S/C13H20ClNO3/c1-17-8-9-18-7-3-6-15-10-11-12(14)4-2-5-13(11)16/h2,4-5,15-16H,3,6-10H2,1H3
InChIKeyUZXRBTBPVHTKTN-UHFFFAOYSA-N
XLogP2.19
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 52.19
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

N-[(2,6-dichlorophenyl)methyl]-3-propoxypropan-1-amine
CID 82940867
N-[(2,3-dichlorophenyl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 28721775
1-[[3-(2-methoxyethoxy)propylamino]methyl]naphthalen-2-ol
CID 28720750
3-chloro-2-[(3-phenoxypropylamino)methyl]phenol
CID 78959809
3-chloro-2-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenol
CID 78959610
N-[(2,6-dimethylphenyl)methyl]-4-(2-methoxyethoxy)butan-1-amine
CID 115897809
3-chloro-2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]phenol
CID 115699232
3-chloro-2-[(5-methylhexylamino)methyl]phenol
CID 79002895
N-[(2,6-difluorophenyl)methyl]-4-(2-methoxyethoxy)butan-1-amine
CID 115600224
2-[3-[(2-chloro-6-fluorophenyl)methylamino]propoxy]ethanol
CID 103992408
3-chloro-2-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]phenol
CID 103802319
2-bromo-6-[[3-(2-methoxyethoxy)propylamino]methyl]phenol
CID 61390555

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[[3-(2-methoxyethoxy)propylamino]methyl]phenol?
The IUPAC name of 3-chloro-2-[[3-(2-methoxyethoxy)propylamino]methyl]phenol (CID 78959669) is 3-chloro-2-[[3-(2-methoxyethoxy)propylamino]methyl]phenol.
What is the SMILES notation for 3-chloro-2-[[3-(2-methoxyethoxy)propylamino]methyl]phenol?
The canonical SMILES for 3-chloro-2-[[3-(2-methoxyethoxy)propylamino]methyl]phenol is COCCOCCCNCc1c(O)cccc1Cl.
What is the InChIKey of 3-chloro-2-[[3-(2-methoxyethoxy)propylamino]methyl]phenol?
The InChIKey is UZXRBTBPVHTKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO3/c1-17-8-9-18-7-3-6-15-10-11-12(14)4-2-5-13(11)16/h2,4-5,15-16H,3,6-10H2,1H3.
What are the key properties of 3-chloro-2-[[3-(2-methoxyethoxy)propylamino]methyl]phenol?
3-chloro-2-[[3-(2-methoxyethoxy)propylamino]methyl]phenol has a molecular weight of 273.76 g/mol, XLogP of 2.19, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[[3-(2-methoxyethoxy)propylamino]methyl]phenol is sourced from PubChem (CID 78959669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).