4-[2-[[4-(dimethylamino)phenyl]methylamino]propyl]phenol

C18H24N2O — CID 78942237

IUPAC4-[2-[[4-(dimethylamino)phenyl]methylamino]propyl]phenol
SMILESCC(Cc1ccc(O)cc1)NCc1ccc(N(C)C)cc1
InChIInChI=1S/C18H24N2O/c1-14(12-15-6-10-18(21)11-7-15)19-13-16-4-8-17(9-5-16)20(2)3/h4-11,14,19,21H,12-13H2,1-3H3
InChIKeyKPQYZVUPDAPYAV-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.18
Rot. Bonds6

About 4-[2-[[4-(dimethylamino)phenyl]methylamino]propyl]phenol

4-[2-[[4-(dimethylamino)phenyl]methylamino]propyl]phenol (PubChem CID 78942237) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-[2-[[4-(dimethylamino)phenyl]methylamino]propyl]phenol.

Molecular Properties

Compound Name4-[2-[[4-(dimethylamino)phenyl]methylamino]propyl]phenol
PubChem CID78942237
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name4-[2-[[4-(dimethylamino)phenyl]methylamino]propyl]phenol
SMILESCC(Cc1ccc(O)cc1)NCc1ccc(N(C)C)cc1
InChIInChI=1S/C18H24N2O/c1-14(12-15-6-10-18(21)11-7-15)19-13-16-4-8-17(9-5-16)20(2)3/h4-11,14,19,21H,12-13H2,1-3H3
InChIKeyKPQYZVUPDAPYAV-UHFFFAOYSA-N
XLogP3.18
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]-N,N-dimethylaniline
CID 60956705
4-[2-[(4-methylphenyl)methylamino]propyl]phenol
CID 78943624
4-[[1-(4-chlorophenyl)propan-2-ylamino]methyl]phenol
CID 43677594
4-[2-(benzylamino)propyl]phenol;hydrobromide
CID 54609236
(2S)-2-[[4-(dimethylamino)phenyl]methylamino]propan-1-ol
CID 93083040
2-[[4-(dimethylamino)phenyl]methylamino]propan-1-ol
CID 43499772
4-[(1-hydroxypropan-2-ylamino)methyl]phenol
CID 43499774
4-[2-[2-[di(propan-2-yl)amino]ethylamino]propyl]phenol
CID 115493853
4-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]phenol
CID 60943467
3-[1-[[4-(dimethylamino)phenyl]methylamino]ethyl]phenol
CID 43205609
4-[2-[(1-methylpyrazol-4-yl)methylamino]propyl]phenol
CID 78943311
4-[2-(3-methylbutylamino)propyl]phenol
CID 115493888

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[4-(dimethylamino)phenyl]methylamino]propyl]phenol?
The IUPAC name of 4-[2-[[4-(dimethylamino)phenyl]methylamino]propyl]phenol (CID 78942237) is 4-[2-[[4-(dimethylamino)phenyl]methylamino]propyl]phenol.
What is the SMILES notation for 4-[2-[[4-(dimethylamino)phenyl]methylamino]propyl]phenol?
The canonical SMILES for 4-[2-[[4-(dimethylamino)phenyl]methylamino]propyl]phenol is CC(Cc1ccc(O)cc1)NCc1ccc(N(C)C)cc1.
What is the InChIKey of 4-[2-[[4-(dimethylamino)phenyl]methylamino]propyl]phenol?
The InChIKey is KPQYZVUPDAPYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-14(12-15-6-10-18(21)11-7-15)19-13-16-4-8-17(9-5-16)20(2)3/h4-11,14,19,21H,12-13H2,1-3H3.
What are the key properties of 4-[2-[[4-(dimethylamino)phenyl]methylamino]propyl]phenol?
4-[2-[[4-(dimethylamino)phenyl]methylamino]propyl]phenol has a molecular weight of 284.40 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[4-(dimethylamino)phenyl]methylamino]propyl]phenol is sourced from PubChem (CID 78942237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).