2-[1-[3-(dimethylamino)anilino]propyl]phenol

C17H22N2O — CID 115376440

IUPAC2-[1-[3-(dimethylamino)anilino]propyl]phenol
SMILESCCC(Nc1cccc(N(C)C)c1)c1ccccc1O
InChIInChI=1S/C17H22N2O/c1-4-16(15-10-5-6-11-17(15)20)18-13-8-7-9-14(12-13)19(2)3/h5-12,16,18,20H,4H2,1-3H3
InChIKeyKYGYELHXNUFPIU-UHFFFAOYSA-N
MW270.38 g/mol
LogP4.02
Rot. Bonds5

About 2-[1-[3-(dimethylamino)anilino]propyl]phenol

2-[1-[3-(dimethylamino)anilino]propyl]phenol (PubChem CID 115376440) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-[1-[3-(dimethylamino)anilino]propyl]phenol.

Molecular Properties

Compound Name2-[1-[3-(dimethylamino)anilino]propyl]phenol
PubChem CID115376440
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-[1-[3-(dimethylamino)anilino]propyl]phenol
SMILESCCC(Nc1cccc(N(C)C)c1)c1ccccc1O
InChIInChI=1S/C17H22N2O/c1-4-16(15-10-5-6-11-17(15)20)18-13-8-7-9-14(12-13)19(2)3/h5-12,16,18,20H,4H2,1-3H3
InChIKeyKYGYELHXNUFPIU-UHFFFAOYSA-N
XLogP4.02
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[4-(dimethylamino)-2-methylanilino]propyl]phenol
CID 43676976
2-[1-(3,4-dimethylanilino)propyl]phenol
CID 43194157
2-fluoro-4-[1-(2-hydroxyphenyl)propylamino]phenol
CID 64793529
2-[1-(3,4-dichloroanilino)propyl]phenol
CID 43105604
2-[1-(3,4-dimethoxyanilino)propyl]phenol
CID 43192747
4-[1-(2-hydroxyphenyl)propylamino]benzamide
CID 43193016
2-[1-[[4-(dimethylamino)-3-pyridinyl]amino]propyl]phenol
CID 43678570
2-[1-(3-chloro-4-ethoxyanilino)propyl]phenol
CID 60944149
4-[1-(2-hydroxyphenyl)propylamino]benzoic acid
CID 43321630
3-[3-(dimethylamino)anilino]pentanenitrile
CID 115377658
2-fluoro-5-[1-(2-hydroxyphenyl)propylamino]benzoic acid
CID 43727906
2-[1-(3-chloro-5-fluoroanilino)propyl]phenol
CID 104925443

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(dimethylamino)anilino]propyl]phenol?
The IUPAC name of 2-[1-[3-(dimethylamino)anilino]propyl]phenol (CID 115376440) is 2-[1-[3-(dimethylamino)anilino]propyl]phenol.
What is the SMILES notation for 2-[1-[3-(dimethylamino)anilino]propyl]phenol?
The canonical SMILES for 2-[1-[3-(dimethylamino)anilino]propyl]phenol is CCC(Nc1cccc(N(C)C)c1)c1ccccc1O.
What is the InChIKey of 2-[1-[3-(dimethylamino)anilino]propyl]phenol?
The InChIKey is KYGYELHXNUFPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-4-16(15-10-5-6-11-17(15)20)18-13-8-7-9-14(12-13)19(2)3/h5-12,16,18,20H,4H2,1-3H3.
What are the key properties of 2-[1-[3-(dimethylamino)anilino]propyl]phenol?
2-[1-[3-(dimethylamino)anilino]propyl]phenol has a molecular weight of 270.38 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(dimethylamino)anilino]propyl]phenol is sourced from PubChem (CID 115376440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).