3-(4-aminophenyl)-1-(4-methylphenyl)propan-1-ol

C16H19NO — CID 4313746

IUPAC3-(4-aminophenyl)-1-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(O)CCc2ccc(N)cc2)cc1
InChIInChI=1S/C16H19NO/c1-12-2-7-14(8-3-12)16(18)11-6-13-4-9-15(17)10-5-13/h2-5,7-10,16,18H,6,11,17H2,1H3
InChIKeyLXDKDOMPCCTLOP-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.24
Rot. Bonds4

About 3-(4-aminophenyl)-1-(4-methylphenyl)propan-1-ol

3-(4-aminophenyl)-1-(4-methylphenyl)propan-1-ol (PubChem CID 4313746) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-(4-aminophenyl)-1-(4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(4-aminophenyl)-1-(4-methylphenyl)propan-1-ol
PubChem CID4313746
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name3-(4-aminophenyl)-1-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(O)CCc2ccc(N)cc2)cc1
InChIInChI=1S/C16H19NO/c1-12-2-7-14(8-3-12)16(18)11-6-13-4-9-15(17)10-5-13/h2-5,7-10,16,18H,6,11,17H2,1H3
InChIKeyLXDKDOMPCCTLOP-UHFFFAOYSA-N
XLogP3.24
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-1-(4-methylphenyl)propan-1-ol?
The IUPAC name of 3-(4-aminophenyl)-1-(4-methylphenyl)propan-1-ol (CID 4313746) is 3-(4-aminophenyl)-1-(4-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-(4-aminophenyl)-1-(4-methylphenyl)propan-1-ol?
The canonical SMILES for 3-(4-aminophenyl)-1-(4-methylphenyl)propan-1-ol is Cc1ccc(C(O)CCc2ccc(N)cc2)cc1.
What is the InChIKey of 3-(4-aminophenyl)-1-(4-methylphenyl)propan-1-ol?
The InChIKey is LXDKDOMPCCTLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-12-2-7-14(8-3-12)16(18)11-6-13-4-9-15(17)10-5-13/h2-5,7-10,16,18H,6,11,17H2,1H3.
What are the key properties of 3-(4-aminophenyl)-1-(4-methylphenyl)propan-1-ol?
3-(4-aminophenyl)-1-(4-methylphenyl)propan-1-ol has a molecular weight of 241.33 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-1-(4-methylphenyl)propan-1-ol is sourced from PubChem (CID 4313746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).