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

C19H25NO — CID 155119454

IUPAC4-[3-(1-phenylbutan-2-ylamino)propyl]phenol
SMILESCCC(Cc1ccccc1)NCCCc1ccc(O)cc1
InChIInChI=1S/C19H25NO/c1-2-18(15-17-7-4-3-5-8-17)20-14-6-9-16-10-12-19(21)13-11-16/h3-5,7-8,10-13,18,20-21H,2,6,9,14-15H2,1H3
InChIKeyMXDYONGNISOTJI-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.94
Rot. Bonds8

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

4-[3-(1-phenylbutan-2-ylamino)propyl]phenol (PubChem CID 155119454) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-[3-(1-phenylbutan-2-ylamino)propyl]phenol.

Molecular Properties

Compound Name4-[3-(1-phenylbutan-2-ylamino)propyl]phenol
PubChem CID155119454
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name4-[3-(1-phenylbutan-2-ylamino)propyl]phenol
SMILESCCC(Cc1ccccc1)NCCCc1ccc(O)cc1
InChIInChI=1S/C19H25NO/c1-2-18(15-17-7-4-3-5-8-17)20-14-6-9-16-10-12-19(21)13-11-16/h3-5,7-8,10-13,18,20-21H,2,6,9,14-15H2,1H3
InChIKeyMXDYONGNISOTJI-UHFFFAOYSA-N
XLogP3.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-phenylbutan-2-ylamino)propyl]phenol?
The IUPAC name of 4-[3-(1-phenylbutan-2-ylamino)propyl]phenol (CID 155119454) is 4-[3-(1-phenylbutan-2-ylamino)propyl]phenol.
What is the SMILES notation for 4-[3-(1-phenylbutan-2-ylamino)propyl]phenol?
The canonical SMILES for 4-[3-(1-phenylbutan-2-ylamino)propyl]phenol is CCC(Cc1ccccc1)NCCCc1ccc(O)cc1.
What is the InChIKey of 4-[3-(1-phenylbutan-2-ylamino)propyl]phenol?
The InChIKey is MXDYONGNISOTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-2-18(15-17-7-4-3-5-8-17)20-14-6-9-16-10-12-19(21)13-11-16/h3-5,7-8,10-13,18,20-21H,2,6,9,14-15H2,1H3.
What are the key properties of 4-[3-(1-phenylbutan-2-ylamino)propyl]phenol?
4-[3-(1-phenylbutan-2-ylamino)propyl]phenol has a molecular weight of 283.42 g/mol, XLogP of 3.94, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-phenylbutan-2-ylamino)propyl]phenol is sourced from PubChem (CID 155119454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).