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

C12H20ClNO2 — CID 115602867

IUPAC4-ethoxy-2-(propylaminomethyl)phenol;hydrochloride
SMILESCCCNCc1cc(OCC)ccc1O.Cl
InChIInChI=1S/C12H19NO2.ClH/c1-3-7-13-9-10-8-11(15-4-2)5-6-12(10)14;/h5-6,8,13-14H,3-4,7,9H2,1-2H3;1H
InChIKeyBKQFSPRFWJZJAS-UHFFFAOYSA-N
MW245.75 g/mol
LogP2.71
Rot. Bonds6

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

4-ethoxy-2-(propylaminomethyl)phenol;hydrochloride (PubChem CID 115602867) has the molecular formula C12H20ClNO2 and a molecular weight of 245.75 g/mol. Its IUPAC name is 4-ethoxy-2-(propylaminomethyl)phenol;hydrochloride.

Molecular Properties

Compound Name4-ethoxy-2-(propylaminomethyl)phenol;hydrochloride
PubChem CID115602867
Molecular FormulaC12H20ClNO2
Molecular Weight245.75 g/mol
Exact Mass245.12
IUPAC Name4-ethoxy-2-(propylaminomethyl)phenol;hydrochloride
SMILESCCCNCc1cc(OCC)ccc1O.Cl
InChIInChI=1S/C12H19NO2.ClH/c1-3-7-13-9-10-8-11(15-4-2)5-6-12(10)14;/h5-6,8,13-14H,3-4,7,9H2,1-2H3;1H
InChIKeyBKQFSPRFWJZJAS-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': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-2-(methylaminomethyl)phenol;hydrochloride
CID 115616005
4-ethoxy-2-[(propan-2-ylamino)methyl]phenol;hydrochloride
CID 115602892
4-ethoxy-2-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]phenol
CID 111118422
2-[(2-ethoxyethylamino)methyl]-4-methoxyphenol
CID 43590666
4-ethoxy-2-[[(4-hydroxy-2,2-dimethylpentyl)amino]methyl]phenol
CID 111467860
2-ethoxy-4-(propylaminomethyl)phenol;hydrochloride
CID 53256552
2-[(4-ethoxy-2-methylanilino)methyl]-4-methoxyphenol
CID 60935381
2-[[(3-ethoxyphenyl)methylamino]methyl]-4-methylphenol
CID 63324515
4-nitro-2-(propylaminomethyl)phenol
CID 62071273
N-[(2,4-diethoxyphenyl)methyl]ethanamine
CID 54804724
4-methoxy-2-[(3-phenoxypropylamino)methyl]phenol
CID 62379116
2-(butylaminomethyl)-4-chlorophenol;hydrochloride
CID 134107366

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-(propylaminomethyl)phenol;hydrochloride?
The IUPAC name of 4-ethoxy-2-(propylaminomethyl)phenol;hydrochloride (CID 115602867) is 4-ethoxy-2-(propylaminomethyl)phenol;hydrochloride.
What is the SMILES notation for 4-ethoxy-2-(propylaminomethyl)phenol;hydrochloride?
The canonical SMILES for 4-ethoxy-2-(propylaminomethyl)phenol;hydrochloride is CCCNCc1cc(OCC)ccc1O.Cl.
What is the InChIKey of 4-ethoxy-2-(propylaminomethyl)phenol;hydrochloride?
The InChIKey is BKQFSPRFWJZJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2.ClH/c1-3-7-13-9-10-8-11(15-4-2)5-6-12(10)14;/h5-6,8,13-14H,3-4,7,9H2,1-2H3;1H.
What are the key properties of 4-ethoxy-2-(propylaminomethyl)phenol;hydrochloride?
4-ethoxy-2-(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 4-ethoxy-2-(propylaminomethyl)phenol;hydrochloride is sourced from PubChem (CID 115602867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).