3-[4-[[4-(3-aminopropyl)phenyl]-(4-chlorophenyl)methyl]phenyl]propan-1-ol

C25H28ClNO — CID 54755019

IUPAC3-[4-[[4-(3-aminopropyl)phenyl]-(4-chlorophenyl)methyl]phenyl]propan-1-ol
SMILESNCCCc1ccc(C(c2ccc(Cl)cc2)c2ccc(CCCO)cc2)cc1
InChIInChI=1S/C25H28ClNO/c26-24-15-13-23(14-16-24)25(21-9-5-19(6-10-21)3-1-17-27)22-11-7-20(8-12-22)4-2-18-28/h5-16,25,28H,1-4,17-18,27H2
InChIKeyXUHDALJUCFVYMP-UHFFFAOYSA-N
MW393.96 g/mol
LogP5.34
Rot. Bonds9

About 3-[4-[[4-(3-aminopropyl)phenyl]-(4-chlorophenyl)methyl]phenyl]propan-1-ol

3-[4-[[4-(3-aminopropyl)phenyl]-(4-chlorophenyl)methyl]phenyl]propan-1-ol (PubChem CID 54755019) has the molecular formula C25H28ClNO and a molecular weight of 393.96 g/mol. Its IUPAC name is 3-[4-[[4-(3-aminopropyl)phenyl]-(4-chlorophenyl)methyl]phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[[4-(3-aminopropyl)phenyl]-(4-chlorophenyl)methyl]phenyl]propan-1-ol
PubChem CID54755019
Molecular FormulaC25H28ClNO
Molecular Weight393.96 g/mol
Exact Mass393.19
IUPAC Name3-[4-[[4-(3-aminopropyl)phenyl]-(4-chlorophenyl)methyl]phenyl]propan-1-ol
SMILESNCCCc1ccc(C(c2ccc(Cl)cc2)c2ccc(CCCO)cc2)cc1
InChIInChI=1S/C25H28ClNO/c26-24-15-13-23(14-16-24)25(21-9-5-19(6-10-21)3-1-17-27)22-11-7-20(8-12-22)4-2-18-28/h5-16,25,28H,1-4,17-18,27H2
InChIKeyXUHDALJUCFVYMP-UHFFFAOYSA-N
XLogP5.34
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.96
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 3-[4-[[4-(3-aminopropyl)phenyl]-(4-chlorophenyl)methyl]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

3-[4-(3-aminopropyl)phenyl]propan-1-amine;dihydrochloride
CID 22743257
1-(4-chlorophenyl)-N-[2-[4-(3-hydroxypropyl)phenyl]ethyl]ethanesulfonamide
CID 139649181
3-[3-(3-aminopropyl)phenyl]propan-1-ol
CID 42610454
3-[4-(4-chlorophenyl)sulfonylphenyl]propan-1-amine
CID 170878584
3-[4-(1-fluoroethyl)phenyl]propan-1-amine
CID 84658143
1-[4-(3-aminopropyl)phenyl]-2,2,2-trifluoroethanol
CID 69251784
4-(3-aminopropyl)phenol
CID 4574248
[4-(4-aminobutyl)phenyl]methanol
CID 11550093
3-amino-2-(4-chlorophenyl)propan-1-ol
CID 67926367
2-(4-chlorophenyl)-2-hydroperoxyethanol
CID 25136213
3-[4-[[4-(3-hydroxypropyl)phenyl]methyl]phenyl]propan-1-ol
CID 91082526
2-[3-(4-chlorophenyl)propyl-(2-hydroxyethyl)amino]ethanol
CID 111487786

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[4-(3-aminopropyl)phenyl]-(4-chlorophenyl)methyl]phenyl]propan-1-ol?
The IUPAC name of 3-[4-[[4-(3-aminopropyl)phenyl]-(4-chlorophenyl)methyl]phenyl]propan-1-ol (CID 54755019) is 3-[4-[[4-(3-aminopropyl)phenyl]-(4-chlorophenyl)methyl]phenyl]propan-1-ol.
What is the SMILES notation for 3-[4-[[4-(3-aminopropyl)phenyl]-(4-chlorophenyl)methyl]phenyl]propan-1-ol?
The canonical SMILES for 3-[4-[[4-(3-aminopropyl)phenyl]-(4-chlorophenyl)methyl]phenyl]propan-1-ol is NCCCc1ccc(C(c2ccc(Cl)cc2)c2ccc(CCCO)cc2)cc1.
What is the InChIKey of 3-[4-[[4-(3-aminopropyl)phenyl]-(4-chlorophenyl)methyl]phenyl]propan-1-ol?
The InChIKey is XUHDALJUCFVYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClNO/c26-24-15-13-23(14-16-24)25(21-9-5-19(6-10-21)3-1-17-27)22-11-7-20(8-12-22)4-2-18-28/h5-16,25,28H,1-4,17-18,27H2.
What are the key properties of 3-[4-[[4-(3-aminopropyl)phenyl]-(4-chlorophenyl)methyl]phenyl]propan-1-ol?
3-[4-[[4-(3-aminopropyl)phenyl]-(4-chlorophenyl)methyl]phenyl]propan-1-ol has a molecular weight of 393.96 g/mol, XLogP of 5.34, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[4-(3-aminopropyl)phenyl]-(4-chlorophenyl)methyl]phenyl]propan-1-ol is sourced from PubChem (CID 54755019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).