1-[[4-(dimethylamino)phenyl]methylamino]-3-(3-methylphenoxy)propan-2-ol

C19H26N2O2 — CID 110906230

IUPAC1-[[4-(dimethylamino)phenyl]methylamino]-3-(3-methylphenoxy)propan-2-ol
SMILESCc1cccc(OCC(O)CNCc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C19H26N2O2/c1-15-5-4-6-19(11-15)23-14-18(22)13-20-12-16-7-9-17(10-8-16)21(2)3/h4-11,18,20,22H,12-14H2,1-3H3
InChIKeyFDPFVNYPHREMQO-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.59
Rot. Bonds8

About 1-[[4-(dimethylamino)phenyl]methylamino]-3-(3-methylphenoxy)propan-2-ol

1-[[4-(dimethylamino)phenyl]methylamino]-3-(3-methylphenoxy)propan-2-ol (PubChem CID 110906230) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-[[4-(dimethylamino)phenyl]methylamino]-3-(3-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[[4-(dimethylamino)phenyl]methylamino]-3-(3-methylphenoxy)propan-2-ol
PubChem CID110906230
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name1-[[4-(dimethylamino)phenyl]methylamino]-3-(3-methylphenoxy)propan-2-ol
SMILESCc1cccc(OCC(O)CNCc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C19H26N2O2/c1-15-5-4-6-19(11-15)23-14-18(22)13-20-12-16-7-9-17(10-8-16)21(2)3/h4-11,18,20,22H,12-14H2,1-3H3
InChIKeyFDPFVNYPHREMQO-UHFFFAOYSA-N
XLogP2.59
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

Analyze 1-[[4-(dimethylamino)phenyl]methylamino]-3-(3-methylphenoxy)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methylphenoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol
CID 60632284
N-[4-[[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]methyl]phenyl]methanesulfonamide
CID 14739889
1-(3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 4728846
1-[(4-methylphenyl)methylamino]-3-phenoxypropan-2-ol
CID 54856606
1-[4-[2-hydroxy-3-[(4-methylphenyl)methylamino]propoxy]phenoxy]-3-[(4-methylphenyl)methylamino]propan-2-ol
CID 19133404
1-[(2,5-difluorophenyl)methylamino]-3-(3-methylphenoxy)propan-2-ol
CID 110906225
1-(4-fluorophenoxy)-3-[(3-methylphenyl)methylamino]propan-2-ol
CID 60729279
3-ethyl-1-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]pentan-2-ol
CID 106285812
2-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]acetamide
CID 60902288
1-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-3-(3-methylphenoxy)propan-2-ol
CID 111434675
(2S)-1-[2-(3-methoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol
CID 97356530
1-(3-methylphenoxy)-3-(3-phenylpropylamino)propan-2-ol;hydrochloride
CID 117067234

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(dimethylamino)phenyl]methylamino]-3-(3-methylphenoxy)propan-2-ol?
The IUPAC name of 1-[[4-(dimethylamino)phenyl]methylamino]-3-(3-methylphenoxy)propan-2-ol (CID 110906230) is 1-[[4-(dimethylamino)phenyl]methylamino]-3-(3-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[[4-(dimethylamino)phenyl]methylamino]-3-(3-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-[[4-(dimethylamino)phenyl]methylamino]-3-(3-methylphenoxy)propan-2-ol is Cc1cccc(OCC(O)CNCc2ccc(N(C)C)cc2)c1.
What is the InChIKey of 1-[[4-(dimethylamino)phenyl]methylamino]-3-(3-methylphenoxy)propan-2-ol?
The InChIKey is FDPFVNYPHREMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-15-5-4-6-19(11-15)23-14-18(22)13-20-12-16-7-9-17(10-8-16)21(2)3/h4-11,18,20,22H,12-14H2,1-3H3.
What are the key properties of 1-[[4-(dimethylamino)phenyl]methylamino]-3-(3-methylphenoxy)propan-2-ol?
1-[[4-(dimethylamino)phenyl]methylamino]-3-(3-methylphenoxy)propan-2-ol has a molecular weight of 314.43 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(dimethylamino)phenyl]methylamino]-3-(3-methylphenoxy)propan-2-ol is sourced from PubChem (CID 110906230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).