2-[2-(1-aminocyclopropyl)phenyl]propan-1-ol

C12H17NO — CID 115018661

IUPAC2-[2-(1-aminocyclopropyl)phenyl]propan-1-ol
SMILESCC(CO)c1ccccc1C1(N)CC1
InChIInChI=1S/C12H17NO/c1-9(8-14)10-4-2-3-5-11(10)12(13)6-7-12/h2-5,9,14H,6-8,13H2,1H3
InChIKeyYSBXSRPVFKQWEH-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.73
Rot. Bonds3

About 2-[2-(1-aminocyclopropyl)phenyl]propan-1-ol

2-[2-(1-aminocyclopropyl)phenyl]propan-1-ol (PubChem CID 115018661) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-[2-(1-aminocyclopropyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-[2-(1-aminocyclopropyl)phenyl]propan-1-ol
PubChem CID115018661
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-[2-(1-aminocyclopropyl)phenyl]propan-1-ol
SMILESCC(CO)c1ccccc1C1(N)CC1
InChIInChI=1S/C12H17NO/c1-9(8-14)10-4-2-3-5-11(10)12(13)6-7-12/h2-5,9,14H,6-8,13H2,1H3
InChIKeyYSBXSRPVFKQWEH-UHFFFAOYSA-N
XLogP1.73
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S,2S)-1-amino-2-phenylcyclopropyl]methanol
CID 90197341
2-Amino-2-(4-decylphenyl)-1,3-propanediol
CID 10566696
2-Amino-2-phenylpropane-1,3-diol
CID 224394
2-Amino-2-phenylpropan-1-ol
CID 349733
2-Amino-2-phenylbutan-1-ol
CID 11194531
beta-Amino-4-(1-methylethyl)benzeneethanol
CID 17389826
(S)-2-Amino-2-phenylpropan-1-ol hydrochloride
CID 67033402
2-Amino-2-phenylpropan-1-ol hydrochloride
CID 67040492
2-Amino-2-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 50987515
2-Amino-2-phenylbutan-1-ol hydrochloride
CID 50988202
2-Amino-2-(3,4-dimethylphenyl)propan-1-ol
CID 61056221
2-Amino-3-methoxy-2-phenylpropan-1-ol
CID 64804708

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminocyclopropyl)phenyl]propan-1-ol?
The IUPAC name of 2-[2-(1-aminocyclopropyl)phenyl]propan-1-ol (CID 115018661) is 2-[2-(1-aminocyclopropyl)phenyl]propan-1-ol.
What is the SMILES notation for 2-[2-(1-aminocyclopropyl)phenyl]propan-1-ol?
The canonical SMILES for 2-[2-(1-aminocyclopropyl)phenyl]propan-1-ol is CC(CO)c1ccccc1C1(N)CC1.
What is the InChIKey of 2-[2-(1-aminocyclopropyl)phenyl]propan-1-ol?
The InChIKey is YSBXSRPVFKQWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9(8-14)10-4-2-3-5-11(10)12(13)6-7-12/h2-5,9,14H,6-8,13H2,1H3.
What are the key properties of 2-[2-(1-aminocyclopropyl)phenyl]propan-1-ol?
2-[2-(1-aminocyclopropyl)phenyl]propan-1-ol has a molecular weight of 191.27 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminocyclopropyl)phenyl]propan-1-ol is sourced from PubChem (CID 115018661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).