3-(3-aminophenyl)-3-(3-cyclopropylphenyl)propan-1-ol

C18H21NO — CID 118356232

IUPAC3-(3-aminophenyl)-3-(3-cyclopropylphenyl)propan-1-ol
SMILESNc1cccc(C(CCO)c2cccc(C3CC3)c2)c1
InChIInChI=1S/C18H21NO/c19-17-6-2-5-16(12-17)18(9-10-20)15-4-1-3-14(11-15)13-7-8-13/h1-6,11-13,18,20H,7-10,19H2
InChIKeyYLYHPIOQJAUHDU-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.66
Rot. Bonds5

About 3-(3-aminophenyl)-3-(3-cyclopropylphenyl)propan-1-ol

3-(3-aminophenyl)-3-(3-cyclopropylphenyl)propan-1-ol (PubChem CID 118356232) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-(3-aminophenyl)-3-(3-cyclopropylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(3-aminophenyl)-3-(3-cyclopropylphenyl)propan-1-ol
PubChem CID118356232
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name3-(3-aminophenyl)-3-(3-cyclopropylphenyl)propan-1-ol
SMILESNc1cccc(C(CCO)c2cccc(C3CC3)c2)c1
InChIInChI=1S/C18H21NO/c19-17-6-2-5-16(12-17)18(9-10-20)15-4-1-3-14(11-15)13-7-8-13/h1-6,11-13,18,20H,7-10,19H2
InChIKeyYLYHPIOQJAUHDU-UHFFFAOYSA-N
XLogP3.66
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-3-(3-cyclopropylphenyl)propan-1-ol?
The IUPAC name of 3-(3-aminophenyl)-3-(3-cyclopropylphenyl)propan-1-ol (CID 118356232) is 3-(3-aminophenyl)-3-(3-cyclopropylphenyl)propan-1-ol.
What is the SMILES notation for 3-(3-aminophenyl)-3-(3-cyclopropylphenyl)propan-1-ol?
The canonical SMILES for 3-(3-aminophenyl)-3-(3-cyclopropylphenyl)propan-1-ol is Nc1cccc(C(CCO)c2cccc(C3CC3)c2)c1.
What is the InChIKey of 3-(3-aminophenyl)-3-(3-cyclopropylphenyl)propan-1-ol?
The InChIKey is YLYHPIOQJAUHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c19-17-6-2-5-16(12-17)18(9-10-20)15-4-1-3-14(11-15)13-7-8-13/h1-6,11-13,18,20H,7-10,19H2.
What are the key properties of 3-(3-aminophenyl)-3-(3-cyclopropylphenyl)propan-1-ol?
3-(3-aminophenyl)-3-(3-cyclopropylphenyl)propan-1-ol has a molecular weight of 267.37 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-3-(3-cyclopropylphenyl)propan-1-ol is sourced from PubChem (CID 118356232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).