2-[3-[(3,5-dimethylphenyl)methylamino]propoxy]ethanol

C14H23NO2 — CID 103992424

IUPAC2-[3-[(3,5-dimethylphenyl)methylamino]propoxy]ethanol
SMILESCc1cc(C)cc(CNCCCOCCO)c1
InChIInChI=1S/C14H23NO2/c1-12-8-13(2)10-14(9-12)11-15-4-3-6-17-7-5-16/h8-10,15-16H,3-7,11H2,1-2H3
InChIKeyPYLKDUKFEPSAFW-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.79
Rot. Bonds8

About 2-[3-[(3,5-dimethylphenyl)methylamino]propoxy]ethanol

2-[3-[(3,5-dimethylphenyl)methylamino]propoxy]ethanol (PubChem CID 103992424) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-[3-[(3,5-dimethylphenyl)methylamino]propoxy]ethanol.

Molecular Properties

Compound Name2-[3-[(3,5-dimethylphenyl)methylamino]propoxy]ethanol
PubChem CID103992424
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-[3-[(3,5-dimethylphenyl)methylamino]propoxy]ethanol
SMILESCc1cc(C)cc(CNCCCOCCO)c1
InChIInChI=1S/C14H23NO2/c1-12-8-13(2)10-14(9-12)11-15-4-3-6-17-7-5-16/h8-10,15-16H,3-7,11H2,1-2H3
InChIKeyPYLKDUKFEPSAFW-UHFFFAOYSA-N
XLogP1.79
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.79
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-[3-[(4-tert-butylphenyl)methylamino]propoxy]ethanol
CID 103992731
2-[3-[(2-chloro-4-methylphenyl)methylamino]propoxy]ethanol
CID 106309804
2-[3-[(2-bromo-4-methylphenyl)methylamino]propoxy]ethanol
CID 103992462
2-[3-[(4-butoxyphenyl)methylamino]propoxy]ethanol
CID 103992724
2-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]propoxy]ethanol
CID 103992458
3-chloro-N-[(3,5-dimethylphenyl)methyl]propan-1-amine
CID 65026271
2-[3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]propoxy]ethanol
CID 103992734
2-[3-[(2,4,5-trifluorophenyl)methylamino]propoxy]ethanol
CID 103992547
N-[(3,5-dimethylphenyl)methyl]-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine
CID 86854931
2-[3-[(7-chloro-1,3-benzodioxol-5-yl)methylamino]propoxy]ethanol
CID 106309295
3-[[3-(2-hydroxyethoxy)propylamino]methyl]benzonitrile
CID 103992538
N-[(5-methyl-3-pyridinyl)methyl]-3-propoxypropan-1-amine
CID 102881006

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3,5-dimethylphenyl)methylamino]propoxy]ethanol?
The IUPAC name of 2-[3-[(3,5-dimethylphenyl)methylamino]propoxy]ethanol (CID 103992424) is 2-[3-[(3,5-dimethylphenyl)methylamino]propoxy]ethanol.
What is the SMILES notation for 2-[3-[(3,5-dimethylphenyl)methylamino]propoxy]ethanol?
The canonical SMILES for 2-[3-[(3,5-dimethylphenyl)methylamino]propoxy]ethanol is Cc1cc(C)cc(CNCCCOCCO)c1.
What is the InChIKey of 2-[3-[(3,5-dimethylphenyl)methylamino]propoxy]ethanol?
The InChIKey is PYLKDUKFEPSAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-12-8-13(2)10-14(9-12)11-15-4-3-6-17-7-5-16/h8-10,15-16H,3-7,11H2,1-2H3.
What are the key properties of 2-[3-[(3,5-dimethylphenyl)methylamino]propoxy]ethanol?
2-[3-[(3,5-dimethylphenyl)methylamino]propoxy]ethanol has a molecular weight of 237.34 g/mol, XLogP of 1.79, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3,5-dimethylphenyl)methylamino]propoxy]ethanol is sourced from PubChem (CID 103992424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).