2-[1-(3,4-dimethylanilino)propyl]phenol

C17H21NO — CID 43194157

IUPAC2-[1-(3,4-dimethylanilino)propyl]phenol
SMILESCCC(Nc1ccc(C)c(C)c1)c1ccccc1O
InChIInChI=1S/C17H21NO/c1-4-16(15-7-5-6-8-17(15)19)18-14-10-9-12(2)13(3)11-14/h5-11,16,18-19H,4H2,1-3H3
InChIKeyVPHCQSYLIWWJGS-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.57
Rot. Bonds4

About 2-[1-(3,4-dimethylanilino)propyl]phenol

2-[1-(3,4-dimethylanilino)propyl]phenol (PubChem CID 43194157) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[1-(3,4-dimethylanilino)propyl]phenol.

Molecular Properties

Compound Name2-[1-(3,4-dimethylanilino)propyl]phenol
PubChem CID43194157
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-[1-(3,4-dimethylanilino)propyl]phenol
SMILESCCC(Nc1ccc(C)c(C)c1)c1ccccc1O
InChIInChI=1S/C17H21NO/c1-4-16(15-7-5-6-8-17(15)19)18-14-10-9-12(2)13(3)11-14/h5-11,16,18-19H,4H2,1-3H3
InChIKeyVPHCQSYLIWWJGS-UHFFFAOYSA-N
XLogP4.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(3,4-dimethoxyanilino)propyl]phenol
CID 43192747
2-fluoro-4-[1-(2-hydroxyphenyl)propylamino]phenol
CID 64793529
2-[1-(3,4-dichloroanilino)propyl]phenol
CID 43105604
2-[1-[3-(dimethylamino)anilino]propyl]phenol
CID 115376440
2-[1-(3-chloro-4-ethoxyanilino)propyl]phenol
CID 60944149
4-[1-(2-hydroxyphenyl)propylamino]benzoic acid
CID 43321630
2-fluoro-5-[1-(2-hydroxyphenyl)propylamino]benzoic acid
CID 43727906
4-[1-(2-hydroxyphenyl)propylamino]benzamide
CID 43193016
2-[1-[4-(difluoromethylsulfanyl)anilino]propyl]phenol
CID 43673094
2-[1-(3-chloro-5-fluoroanilino)propyl]phenol
CID 104925443
2-[1-(methylamino)propyl]phenol
CID 12862798
2-[1-(2-fluoro-5-methylanilino)propyl]phenol
CID 43122748

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dimethylanilino)propyl]phenol?
The IUPAC name of 2-[1-(3,4-dimethylanilino)propyl]phenol (CID 43194157) is 2-[1-(3,4-dimethylanilino)propyl]phenol.
What is the SMILES notation for 2-[1-(3,4-dimethylanilino)propyl]phenol?
The canonical SMILES for 2-[1-(3,4-dimethylanilino)propyl]phenol is CCC(Nc1ccc(C)c(C)c1)c1ccccc1O.
What is the InChIKey of 2-[1-(3,4-dimethylanilino)propyl]phenol?
The InChIKey is VPHCQSYLIWWJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-4-16(15-7-5-6-8-17(15)19)18-14-10-9-12(2)13(3)11-14/h5-11,16,18-19H,4H2,1-3H3.
What are the key properties of 2-[1-(3,4-dimethylanilino)propyl]phenol?
2-[1-(3,4-dimethylanilino)propyl]phenol has a molecular weight of 255.36 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dimethylanilino)propyl]phenol is sourced from PubChem (CID 43194157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).