4-[3-(3,5-dimethylanilino)propyl]phenol

C17H21NO — CID 83457314

IUPAC4-[3-(3,5-dimethylanilino)propyl]phenol
SMILESCc1cc(C)cc(NCCCc2ccc(O)cc2)c1
InChIInChI=1S/C17H21NO/c1-13-10-14(2)12-16(11-13)18-9-3-4-15-5-7-17(19)8-6-15/h5-8,10-12,18-19H,3-4,9H2,1-2H3
InChIKeyBMKDEIGKVFDUBY-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.05
Rot. Bonds5

About 4-[3-(3,5-dimethylanilino)propyl]phenol

4-[3-(3,5-dimethylanilino)propyl]phenol (PubChem CID 83457314) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-[3-(3,5-dimethylanilino)propyl]phenol.

Molecular Properties

Compound Name4-[3-(3,5-dimethylanilino)propyl]phenol
PubChem CID83457314
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name4-[3-(3,5-dimethylanilino)propyl]phenol
SMILESCc1cc(C)cc(NCCCc2ccc(O)cc2)c1
InChIInChI=1S/C17H21NO/c1-13-10-14(2)12-16(11-13)18-9-3-4-15-5-7-17(19)8-6-15/h5-8,10-12,18-19H,3-4,9H2,1-2H3
InChIKeyBMKDEIGKVFDUBY-UHFFFAOYSA-N
XLogP4.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(3,5-dimethylanilino)ethyl]phenol
CID 170698256
N-[2-(4-iodophenyl)ethyl]-3,5-dimethylaniline
CID 139263974
4-[3-[3-(4-hydroxyphenyl)propylamino]propyl]phenol
CID 101010463
3-fluoro-5-methyl-N-(4-phenylbutyl)aniline
CID 114333431
4-butylphenol;3-methylbicyclo[3.1.0]hexa-1(6),2,4-triene
CID 174345319
N-[4-(4-aminophenyl)butyl]-3-methylaniline
CID 94271013
4-[3-(prop-1-en-2-ylamino)propyl]phenol
CID 170569538
N-[3-(4-hydroxyphenyl)propyl]-1-(4-methylphenyl)methanesulfonamide
CID 110603663
4-heptylphenol;3-methylbicyclo[3.1.0]hexa-1(6),2,4-triene
CID 174342857
3-(3-phenylpropylamino)phenol
CID 28722963
4-[11-(4-hydroxyphenyl)undecyl]phenol
CID 23191182
4-(3-fluoropropyl)phenol
CID 68765958

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,5-dimethylanilino)propyl]phenol?
The IUPAC name of 4-[3-(3,5-dimethylanilino)propyl]phenol (CID 83457314) is 4-[3-(3,5-dimethylanilino)propyl]phenol.
What is the SMILES notation for 4-[3-(3,5-dimethylanilino)propyl]phenol?
The canonical SMILES for 4-[3-(3,5-dimethylanilino)propyl]phenol is Cc1cc(C)cc(NCCCc2ccc(O)cc2)c1.
What is the InChIKey of 4-[3-(3,5-dimethylanilino)propyl]phenol?
The InChIKey is BMKDEIGKVFDUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-13-10-14(2)12-16(11-13)18-9-3-4-15-5-7-17(19)8-6-15/h5-8,10-12,18-19H,3-4,9H2,1-2H3.
What are the key properties of 4-[3-(3,5-dimethylanilino)propyl]phenol?
4-[3-(3,5-dimethylanilino)propyl]phenol has a molecular weight of 255.36 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,5-dimethylanilino)propyl]phenol is sourced from PubChem (CID 83457314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).