2-ethoxy-4-(propylaminomethyl)phenol;hydrochloride

C12H20ClNO2 — CID 53256552

IUPAC2-ethoxy-4-(propylaminomethyl)phenol;hydrochloride
SMILESCCCNCc1ccc(O)c(OCC)c1.Cl
InChIInChI=1S/C12H19NO2.ClH/c1-3-7-13-9-10-5-6-11(14)12(8-10)15-4-2;/h5-6,8,13-14H,3-4,7,9H2,1-2H3;1H
InChIKeyGTYCUQHDWAVGQC-UHFFFAOYSA-N
MW245.75 g/mol
LogP2.71
Rot. Bonds6

About 2-ethoxy-4-(propylaminomethyl)phenol;hydrochloride

2-ethoxy-4-(propylaminomethyl)phenol;hydrochloride (PubChem CID 53256552) has the molecular formula C12H20ClNO2 and a molecular weight of 245.75 g/mol. Its IUPAC name is 2-ethoxy-4-(propylaminomethyl)phenol;hydrochloride.

Molecular Properties

Compound Name2-ethoxy-4-(propylaminomethyl)phenol;hydrochloride
PubChem CID53256552
Molecular FormulaC12H20ClNO2
Molecular Weight245.75 g/mol
Exact Mass245.12
IUPAC Name2-ethoxy-4-(propylaminomethyl)phenol;hydrochloride
SMILESCCCNCc1ccc(O)c(OCC)c1.Cl
InChIInChI=1S/C12H19NO2.ClH/c1-3-7-13-9-10-5-6-11(14)12(8-10)15-4-2;/h5-6,8,13-14H,3-4,7,9H2,1-2H3;1H
InChIKeyGTYCUQHDWAVGQC-UHFFFAOYSA-N
XLogP2.71
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-4-(methylaminomethyl)phenol
CID 16776359
4-[[(4-bromophenyl)methylamino]methyl]-2-ethoxyphenol
CID 60735183
N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-1-amine
CID 4717518
3-[2-[(3-ethoxy-4-hydroxyphenyl)methylamino]ethyl]-1,1-dimethylurea
CID 83110402
N-[[3-ethoxy-4-(3-methylbut-2-enoxy)phenyl]methyl]propan-1-amine
CID 60882028
6-[(3-ethoxy-4-hydroxyphenyl)methylamino]hexanoic acid
CID 82364313
3-[(3-ethoxy-4-hydroxyphenyl)methylamino]-N-propan-2-ylpropanamide
CID 115581391
N-[(3-ethoxy-4-propoxyphenyl)methyl]propan-1-amine
CID 2104080
4-[(2,3-dimethylbutylamino)methyl]-2-ethoxyphenol
CID 64570279
2-ethoxy-4-[(3-piperidin-1-ylpropylamino)methyl]phenol
CID 28657313
2-[(3,4-diethoxyphenyl)methylamino]ethanol;hydrochloride
CID 17291954
2-ethoxy-4-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]phenol
CID 106413823

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-(propylaminomethyl)phenol;hydrochloride?
The IUPAC name of 2-ethoxy-4-(propylaminomethyl)phenol;hydrochloride (CID 53256552) is 2-ethoxy-4-(propylaminomethyl)phenol;hydrochloride.
What is the SMILES notation for 2-ethoxy-4-(propylaminomethyl)phenol;hydrochloride?
The canonical SMILES for 2-ethoxy-4-(propylaminomethyl)phenol;hydrochloride is CCCNCc1ccc(O)c(OCC)c1.Cl.
What is the InChIKey of 2-ethoxy-4-(propylaminomethyl)phenol;hydrochloride?
The InChIKey is GTYCUQHDWAVGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2.ClH/c1-3-7-13-9-10-5-6-11(14)12(8-10)15-4-2;/h5-6,8,13-14H,3-4,7,9H2,1-2H3;1H.
What are the key properties of 2-ethoxy-4-(propylaminomethyl)phenol;hydrochloride?
2-ethoxy-4-(propylaminomethyl)phenol;hydrochloride has a molecular weight of 245.75 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-(propylaminomethyl)phenol;hydrochloride is sourced from PubChem (CID 53256552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).