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

C17H21NO — CID 82978560

IUPAC2-[1-(N,4-dimethylanilino)propyl]phenol
SMILESCCC(c1ccccc1O)N(C)c1ccc(C)cc1
InChIInChI=1S/C17H21NO/c1-4-16(15-7-5-6-8-17(15)19)18(3)14-11-9-13(2)10-12-14/h5-12,16,19H,4H2,1-3H3
InChIKeyIDJITSKQBKLMIT-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.29
Rot. Bonds4

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

2-[1-(N,4-dimethylanilino)propyl]phenol (PubChem CID 82978560) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[1-(N,4-dimethylanilino)propyl]phenol.

Molecular Properties

Compound Name2-[1-(N,4-dimethylanilino)propyl]phenol
PubChem CID82978560
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-[1-(N,4-dimethylanilino)propyl]phenol
SMILESCCC(c1ccccc1O)N(C)c1ccc(C)cc1
InChIInChI=1S/C17H21NO/c1-4-16(15-7-5-6-8-17(15)19)18(3)14-11-9-13(2)10-12-14/h5-12,16,19H,4H2,1-3H3
InChIKeyIDJITSKQBKLMIT-UHFFFAOYSA-N
XLogP4.29
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[1-[2-(dimethylamino)ethyl-methylamino]propyl]phenol
CID 82980424
2-[1-[(4,4-dimethylcyclohexyl)-methylamino]propyl]phenol
CID 82983229
2-[1-[cyclohexyl(methyl)amino]propyl]phenol
CID 82974252
2-[1-[methyl(2-propan-2-yloxyethyl)amino]propyl]phenol
CID 82982904
2-[N-[1-(2-hydroxyphenyl)propyl]anilino]acetic acid
CID 65056725
2-[1-[methyl-(1-methylpiperidin-4-yl)amino]propyl]phenol
CID 82975221
2-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol
CID 81356961
2-[1-(methylamino)propyl]phenol
CID 12862798
2-[(1R)-1-[methyl-[(1R)-1-phenylethyl]amino]butyl]phenol
CID 101104317
2-[1-[cyclohexyl(ethyl)amino]propyl]phenol
CID 82974115
2-[1-[2-methoxyethyl(3-methoxypropyl)amino]propyl]phenol
CID 82978164
N-methyl-N-(4-methylphenyl)-1-pyridin-2-ylethane-1,2-diamine
CID 114991327

Frequently Asked Questions

What is the IUPAC name of 2-[1-(N,4-dimethylanilino)propyl]phenol?
The IUPAC name of 2-[1-(N,4-dimethylanilino)propyl]phenol (CID 82978560) is 2-[1-(N,4-dimethylanilino)propyl]phenol.
What is the SMILES notation for 2-[1-(N,4-dimethylanilino)propyl]phenol?
The canonical SMILES for 2-[1-(N,4-dimethylanilino)propyl]phenol is CCC(c1ccccc1O)N(C)c1ccc(C)cc1.
What is the InChIKey of 2-[1-(N,4-dimethylanilino)propyl]phenol?
The InChIKey is IDJITSKQBKLMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-4-16(15-7-5-6-8-17(15)19)18(3)14-11-9-13(2)10-12-14/h5-12,16,19H,4H2,1-3H3.
What are the key properties of 2-[1-(N,4-dimethylanilino)propyl]phenol?
2-[1-(N,4-dimethylanilino)propyl]phenol has a molecular weight of 255.36 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(N,4-dimethylanilino)propyl]phenol is sourced from PubChem (CID 82978560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).