(4-anilino-3-methylphenyl)-[3-(diethylamino)propylamino]methanol

C21H31N3O — CID 134490331

IUPAC(4-anilino-3-methylphenyl)-[3-(diethylamino)propylamino]methanol
SMILESCCN(CC)CCCNC(O)c1ccc(Nc2ccccc2)c(C)c1
InChIInChI=1S/C21H31N3O/c1-4-24(5-2)15-9-14-22-21(25)18-12-13-20(17(3)16-18)23-19-10-7-6-8-11-19/h6-8,10-13,16,21-23,25H,4-5,9,14-15H2,1-3H3
InChIKeyCPUNDBSRHRLTPP-UHFFFAOYSA-N
MW341.50 g/mol
LogP4.05
Rot. Bonds10

About (4-anilino-3-methylphenyl)-[3-(diethylamino)propylamino]methanol

(4-anilino-3-methylphenyl)-[3-(diethylamino)propylamino]methanol (PubChem CID 134490331) has the molecular formula C21H31N3O and a molecular weight of 341.50 g/mol. Its IUPAC name is (4-anilino-3-methylphenyl)-[3-(diethylamino)propylamino]methanol.

Molecular Properties

Compound Name(4-anilino-3-methylphenyl)-[3-(diethylamino)propylamino]methanol
PubChem CID134490331
Molecular FormulaC21H31N3O
Molecular Weight341.50 g/mol
Exact Mass341.25
IUPAC Name(4-anilino-3-methylphenyl)-[3-(diethylamino)propylamino]methanol
SMILESCCN(CC)CCCNC(O)c1ccc(Nc2ccccc2)c(C)c1
InChIInChI=1S/C21H31N3O/c1-4-24(5-2)15-9-14-22-21(25)18-12-13-20(17(3)16-18)23-19-10-7-6-8-11-19/h6-8,10-13,16,21-23,25H,4-5,9,14-15H2,1-3H3
InChIKeyCPUNDBSRHRLTPP-UHFFFAOYSA-N
XLogP4.05
TPSA47.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (4-anilino-3-methylphenyl)-[3-(diethylamino)propylamino]methanol 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

2-[3-(diethylamino)propylamino]-1-phenylpropan-1-ol
CID 82312095
2-[3-(diethylamino)propylamino]-2-(3-methylphenyl)acetic acid
CID 84750225
N-[cyclopropyl-(4-methylphenyl)methyl]-N',N'-diethylpropane-1,3-diamine
CID 43763166
N'-(2-anilinoethyl)-N,N,N'-triethylpropane-1,3-diamine
CID 102994521
(1S)-2-[2-(diethylamino)ethylamino]-1-phenylethanol
CID 93032029
3-[3-(diethylamino)propylamino]phenol
CID 83813650
[4-[1-[3-(diethylamino)propylamino]ethyl]phenyl]urea
CID 43763193
N',N'-diethyl-N-[1-(4-ethylphenyl)propyl]propane-1,3-diamine
CID 43309958
3-[[3-(4-anilino-3-nitroanilino)-3-oxopropyl]-[3-(diethylamino)propyl]amino]-N-(4-anilino-3-nitrophenyl)propanamide
CID 58321345
4-[3-(diethylamino)propylamino]-2-methylbenzoic acid
CID 81281767
(3-anilino-4-fluorophenyl)-phenylmethanol
CID 118355786
N-tert-butyl-2-[2-(diethylamino)ethylamino]-2-phenylacetamide
CID 54271969

Frequently Asked Questions

What is the IUPAC name of (4-anilino-3-methylphenyl)-[3-(diethylamino)propylamino]methanol?
The IUPAC name of (4-anilino-3-methylphenyl)-[3-(diethylamino)propylamino]methanol (CID 134490331) is (4-anilino-3-methylphenyl)-[3-(diethylamino)propylamino]methanol.
What is the SMILES notation for (4-anilino-3-methylphenyl)-[3-(diethylamino)propylamino]methanol?
The canonical SMILES for (4-anilino-3-methylphenyl)-[3-(diethylamino)propylamino]methanol is CCN(CC)CCCNC(O)c1ccc(Nc2ccccc2)c(C)c1.
What is the InChIKey of (4-anilino-3-methylphenyl)-[3-(diethylamino)propylamino]methanol?
The InChIKey is CPUNDBSRHRLTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O/c1-4-24(5-2)15-9-14-22-21(25)18-12-13-20(17(3)16-18)23-19-10-7-6-8-11-19/h6-8,10-13,16,21-23,25H,4-5,9,14-15H2,1-3H3.
What are the key properties of (4-anilino-3-methylphenyl)-[3-(diethylamino)propylamino]methanol?
(4-anilino-3-methylphenyl)-[3-(diethylamino)propylamino]methanol has a molecular weight of 341.50 g/mol, XLogP of 4.05, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-anilino-3-methylphenyl)-[3-(diethylamino)propylamino]methanol is sourced from PubChem (CID 134490331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).