3-amino-3-cyclopropyl-2-(2-phenylphenoxy)propan-1-ol

C18H21NO2 — CID 114357835

IUPAC3-amino-3-cyclopropyl-2-(2-phenylphenoxy)propan-1-ol
SMILESNC(C1CC1)C(CO)Oc1ccccc1-c1ccccc1
InChIInChI=1S/C18H21NO2/c19-18(14-10-11-14)17(12-20)21-16-9-5-4-8-15(16)13-6-2-1-3-7-13/h1-9,14,17-18,20H,10-12,19H2
InChIKeyNOFFCAMDLNCLOX-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.83
Rot. Bonds6

About 3-amino-3-cyclopropyl-2-(2-phenylphenoxy)propan-1-ol

3-amino-3-cyclopropyl-2-(2-phenylphenoxy)propan-1-ol (PubChem CID 114357835) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-amino-3-cyclopropyl-2-(2-phenylphenoxy)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-cyclopropyl-2-(2-phenylphenoxy)propan-1-ol
PubChem CID114357835
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name3-amino-3-cyclopropyl-2-(2-phenylphenoxy)propan-1-ol
SMILESNC(C1CC1)C(CO)Oc1ccccc1-c1ccccc1
InChIInChI=1S/C18H21NO2/c19-18(14-10-11-14)17(12-20)21-16-9-5-4-8-15(16)13-6-2-1-3-7-13/h1-9,14,17-18,20H,10-12,19H2
InChIKeyNOFFCAMDLNCLOX-UHFFFAOYSA-N
XLogP2.83
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-cyclopropyl-2-(4-propan-2-ylphenoxy)propan-1-ol
CID 114357850
3-amino-3-cyclopropyl-2-(3-fluoro-4-methylphenoxy)propan-1-ol
CID 107168863
3-amino-2-(4-butylphenoxy)-3-cyclopropylpropan-1-ol
CID 114358352
2,2-dimethyl-5-(2-phenylphenoxy)cyclopentan-1-ol
CID 79866050
N-(2-amino-1-cyclopropylethyl)-2-(2-phenylphenoxy)acetamide
CID 119613353
1-[4-(1-aminoethyl)piperidin-1-yl]-3-(2-phenylphenoxy)propan-1-one;hydrochloride
CID 119519550
3-amino-2-cyclobutyloxy-3-cyclopropylpropan-1-ol
CID 114358245
1-phenyl-2-(2-propan-2-yloxyethoxy)benzene
CID 71073529
1-amino-2-methyl-4-(2-phenylphenoxy)pentan-2-ol
CID 64813156
3-(2-phenylphenoxy)pentanenitrile
CID 43367670
3-amino-2-(2-propan-2-ylphenoxy)butan-1-ol
CID 64898304
1-[(2-phenylphenoxy)methyl]cyclopentan-1-ol
CID 65212411

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-cyclopropyl-2-(2-phenylphenoxy)propan-1-ol?
The IUPAC name of 3-amino-3-cyclopropyl-2-(2-phenylphenoxy)propan-1-ol (CID 114357835) is 3-amino-3-cyclopropyl-2-(2-phenylphenoxy)propan-1-ol.
What is the SMILES notation for 3-amino-3-cyclopropyl-2-(2-phenylphenoxy)propan-1-ol?
The canonical SMILES for 3-amino-3-cyclopropyl-2-(2-phenylphenoxy)propan-1-ol is NC(C1CC1)C(CO)Oc1ccccc1-c1ccccc1.
What is the InChIKey of 3-amino-3-cyclopropyl-2-(2-phenylphenoxy)propan-1-ol?
The InChIKey is NOFFCAMDLNCLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c19-18(14-10-11-14)17(12-20)21-16-9-5-4-8-15(16)13-6-2-1-3-7-13/h1-9,14,17-18,20H,10-12,19H2.
What are the key properties of 3-amino-3-cyclopropyl-2-(2-phenylphenoxy)propan-1-ol?
3-amino-3-cyclopropyl-2-(2-phenylphenoxy)propan-1-ol has a molecular weight of 283.37 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-cyclopropyl-2-(2-phenylphenoxy)propan-1-ol is sourced from PubChem (CID 114357835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).