3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-phenylpropan-1-ol

C19H26N2O — CID 11347068

IUPAC3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-phenylpropan-1-ol
SMILESCN(CCC(O)c1ccccc1)Cc1ccc(N(C)C)cc1
InChIInChI=1S/C19H26N2O/c1-20(2)18-11-9-16(10-12-18)15-21(3)14-13-19(22)17-7-5-4-6-8-17/h4-12,19,22H,13-15H2,1-3H3
InChIKeyDNFRPAPROQJMNV-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.31
Rot. Bonds7

About 3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-phenylpropan-1-ol

3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-phenylpropan-1-ol (PubChem CID 11347068) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-phenylpropan-1-ol
PubChem CID11347068
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-phenylpropan-1-ol
SMILESCN(CCC(O)c1ccccc1)Cc1ccc(N(C)C)cc1
InChIInChI=1S/C19H26N2O/c1-20(2)18-11-9-16(10-12-18)15-21(3)14-13-19(22)17-7-5-4-6-8-17/h4-12,19,22H,13-15H2,1-3H3
InChIKeyDNFRPAPROQJMNV-UHFFFAOYSA-N
XLogP3.31
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
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

3-[methyl-[(4-methylphenyl)methyl]amino]-1-phenylpropan-1-ol
CID 62612269
3-[(4-chlorophenyl)methyl-methylamino]-1-phenylpropan-1-ol
CID 62611608
3-[methyl-[(4-nitrophenyl)methyl]amino]-1-phenylpropan-1-ol
CID 141224806
(1S)-3-[[6-(dimethylamino)-3-pyridinyl]methyl-methylamino]-1-phenylpropan-1-ol
CID 99957750
3-[2-(dimethylamino)ethyl-methylamino]-1-phenylpropan-1-ol
CID 63700698
1-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-ol
CID 62629838
1-(4-fluorophenyl)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-1-ol
CID 62645449
1-(3-bromophenyl)-3-[(4-bromophenyl)methyl-methylamino]propan-1-ol
CID 63489449
3-[methyl(2-methylpropyl)amino]-1-phenylpropan-1-ol
CID 62613916
1-(4-chlorophenyl)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-1-ol
CID 62643532
3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-phenylpropan-1-ol
CID 62611936
N-(3-hydroxy-3-phenylpropyl)-N-methylacetamide
CID 59648964

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-phenylpropan-1-ol?
The IUPAC name of 3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-phenylpropan-1-ol (CID 11347068) is 3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-phenylpropan-1-ol.
What is the SMILES notation for 3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-phenylpropan-1-ol?
The canonical SMILES for 3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-phenylpropan-1-ol is CN(CCC(O)c1ccccc1)Cc1ccc(N(C)C)cc1.
What is the InChIKey of 3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-phenylpropan-1-ol?
The InChIKey is DNFRPAPROQJMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-20(2)18-11-9-16(10-12-18)15-21(3)14-13-19(22)17-7-5-4-6-8-17/h4-12,19,22H,13-15H2,1-3H3.
What are the key properties of 3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-phenylpropan-1-ol?
3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-phenylpropan-1-ol has a molecular weight of 298.43 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-phenylpropan-1-ol is sourced from PubChem (CID 11347068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).