4-[3-(1-phenylpropan-2-ylamino)propyl]phenol

C18H23NO — CID 155119457

IUPAC4-[3-(1-phenylpropan-2-ylamino)propyl]phenol
SMILESCC(Cc1ccccc1)NCCCc1ccc(O)cc1
InChIInChI=1S/C18H23NO/c1-15(14-17-6-3-2-4-7-17)19-13-5-8-16-9-11-18(20)12-10-16/h2-4,6-7,9-12,15,19-20H,5,8,13-14H2,1H3
InChIKeyIAOKPKDOCKVRGD-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.55
Rot. Bonds7

About 4-[3-(1-phenylpropan-2-ylamino)propyl]phenol

4-[3-(1-phenylpropan-2-ylamino)propyl]phenol (PubChem CID 155119457) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-[3-(1-phenylpropan-2-ylamino)propyl]phenol.

Molecular Properties

Compound Name4-[3-(1-phenylpropan-2-ylamino)propyl]phenol
PubChem CID155119457
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name4-[3-(1-phenylpropan-2-ylamino)propyl]phenol
SMILESCC(Cc1ccccc1)NCCCc1ccc(O)cc1
InChIInChI=1S/C18H23NO/c1-15(14-17-6-3-2-4-7-17)19-13-5-8-16-9-11-18(20)12-10-16/h2-4,6-7,9-12,15,19-20H,5,8,13-14H2,1H3
InChIKeyIAOKPKDOCKVRGD-UHFFFAOYSA-N
XLogP3.55
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[3-(1-phenylpropan-2-ylamino)propyl]phenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-phenylpropan-2-ylamino)propyl]phenol?
The IUPAC name of 4-[3-(1-phenylpropan-2-ylamino)propyl]phenol (CID 155119457) is 4-[3-(1-phenylpropan-2-ylamino)propyl]phenol.
What is the SMILES notation for 4-[3-(1-phenylpropan-2-ylamino)propyl]phenol?
The canonical SMILES for 4-[3-(1-phenylpropan-2-ylamino)propyl]phenol is CC(Cc1ccccc1)NCCCc1ccc(O)cc1.
What is the InChIKey of 4-[3-(1-phenylpropan-2-ylamino)propyl]phenol?
The InChIKey is IAOKPKDOCKVRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-15(14-17-6-3-2-4-7-17)19-13-5-8-16-9-11-18(20)12-10-16/h2-4,6-7,9-12,15,19-20H,5,8,13-14H2,1H3.
What are the key properties of 4-[3-(1-phenylpropan-2-ylamino)propyl]phenol?
4-[3-(1-phenylpropan-2-ylamino)propyl]phenol has a molecular weight of 269.39 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-phenylpropan-2-ylamino)propyl]phenol is sourced from PubChem (CID 155119457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).