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

C18H24N2O — CID 66523313

IUPAC2-(benzylamino)-3-[4-(dimethylamino)phenyl]propan-1-ol
SMILESCN(C)c1ccc(CC(CO)NCc2ccccc2)cc1
InChIInChI=1S/C18H24N2O/c1-20(2)18-10-8-15(9-11-18)12-17(14-21)19-13-16-6-4-3-5-7-16/h3-11,17,19,21H,12-14H2,1-2H3
InChIKeyVQLAOJUHXVVBQX-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.45
Rot. Bonds7

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

2-(benzylamino)-3-[4-(dimethylamino)phenyl]propan-1-ol (PubChem CID 66523313) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-(benzylamino)-3-[4-(dimethylamino)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-(benzylamino)-3-[4-(dimethylamino)phenyl]propan-1-ol
PubChem CID66523313
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2-(benzylamino)-3-[4-(dimethylamino)phenyl]propan-1-ol
SMILESCN(C)c1ccc(CC(CO)NCc2ccccc2)cc1
InChIInChI=1S/C18H24N2O/c1-20(2)18-10-8-15(9-11-18)12-17(14-21)19-13-16-6-4-3-5-7-16/h3-11,17,19,21H,12-14H2,1-2H3
InChIKeyVQLAOJUHXVVBQX-UHFFFAOYSA-N
XLogP2.45
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(benzylamino)-3-[4-(dimethylamino)phenyl]propan-1-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

4-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol
CID 102809787
2-[[4-(dimethylamino)phenyl]methylamino]butan-1-ol;hydrochloride
CID 2988960
(2R)-2-[(4-methoxyphenyl)methylamino]-3-phenylpropan-1-ol
CID 104922945
(2R)-2-[(4-ethenylphenyl)methylamino]-3-phenylpropan-1-ol
CID 101210967
4-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]benzonitrile
CID 102610093
(2S)-2-[[4-(dimethylamino)phenyl]methylamino]propan-1-ol
CID 93083040
2-[[4-(dimethylamino)phenyl]methylamino]propan-1-ol
CID 43499772
2-(benzylamino)-3-(3,4-dimethoxyphenyl)propan-1-ol
CID 59712221
(2R)-2-[(3-bromo-4-methylphenyl)methylamino]-3-phenylpropan-1-ol
CID 104922947
(2S)-2-[(2-methylphenyl)methylamino]-3-phenylpropan-1-ol
CID 102610215
N,N-dimethyl-4-[[[(1S)-1-phenylethyl]amino]methyl]aniline
CID 961203
3-phenyl-2-(pyridin-3-ylmethylamino)propan-1-ol
CID 63260593

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-3-[4-(dimethylamino)phenyl]propan-1-ol?
The IUPAC name of 2-(benzylamino)-3-[4-(dimethylamino)phenyl]propan-1-ol (CID 66523313) is 2-(benzylamino)-3-[4-(dimethylamino)phenyl]propan-1-ol.
What is the SMILES notation for 2-(benzylamino)-3-[4-(dimethylamino)phenyl]propan-1-ol?
The canonical SMILES for 2-(benzylamino)-3-[4-(dimethylamino)phenyl]propan-1-ol is CN(C)c1ccc(CC(CO)NCc2ccccc2)cc1.
What is the InChIKey of 2-(benzylamino)-3-[4-(dimethylamino)phenyl]propan-1-ol?
The InChIKey is VQLAOJUHXVVBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-20(2)18-10-8-15(9-11-18)12-17(14-21)19-13-16-6-4-3-5-7-16/h3-11,17,19,21H,12-14H2,1-2H3.
What are the key properties of 2-(benzylamino)-3-[4-(dimethylamino)phenyl]propan-1-ol?
2-(benzylamino)-3-[4-(dimethylamino)phenyl]propan-1-ol has a molecular weight of 284.40 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-3-[4-(dimethylamino)phenyl]propan-1-ol is sourced from PubChem (CID 66523313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).