1-[[4-(4-aminobutan-2-yl)phenyl]methyl]cyclopropan-1-ol

C14H21NO — CID 115113530

IUPAC1-[[4-(4-aminobutan-2-yl)phenyl]methyl]cyclopropan-1-ol
SMILESCC(CCN)c1ccc(CC2(O)CC2)cc1
InChIInChI=1S/C14H21NO/c1-11(6-9-15)13-4-2-12(3-5-13)10-14(16)7-8-14/h2-5,11,16H,6-10,15H2,1H3
InChIKeyYJSWNRMCRKDMRX-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.21
Rot. Bonds5

About 1-[[4-(4-aminobutan-2-yl)phenyl]methyl]cyclopropan-1-ol

1-[[4-(4-aminobutan-2-yl)phenyl]methyl]cyclopropan-1-ol (PubChem CID 115113530) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-[[4-(4-aminobutan-2-yl)phenyl]methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[[4-(4-aminobutan-2-yl)phenyl]methyl]cyclopropan-1-ol
PubChem CID115113530
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-[[4-(4-aminobutan-2-yl)phenyl]methyl]cyclopropan-1-ol
SMILESCC(CCN)c1ccc(CC2(O)CC2)cc1
InChIInChI=1S/C14H21NO/c1-11(6-9-15)13-4-2-12(3-5-13)10-14(16)7-8-14/h2-5,11,16H,6-10,15H2,1H3
InChIKeyYJSWNRMCRKDMRX-UHFFFAOYSA-N
XLogP2.21
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-aminobutan-2-yl)phenyl]methyl]cyclopropan-1-ol?
The IUPAC name of 1-[[4-(4-aminobutan-2-yl)phenyl]methyl]cyclopropan-1-ol (CID 115113530) is 1-[[4-(4-aminobutan-2-yl)phenyl]methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[[4-(4-aminobutan-2-yl)phenyl]methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[[4-(4-aminobutan-2-yl)phenyl]methyl]cyclopropan-1-ol is CC(CCN)c1ccc(CC2(O)CC2)cc1.
What is the InChIKey of 1-[[4-(4-aminobutan-2-yl)phenyl]methyl]cyclopropan-1-ol?
The InChIKey is YJSWNRMCRKDMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11(6-9-15)13-4-2-12(3-5-13)10-14(16)7-8-14/h2-5,11,16H,6-10,15H2,1H3.
What are the key properties of 1-[[4-(4-aminobutan-2-yl)phenyl]methyl]cyclopropan-1-ol?
1-[[4-(4-aminobutan-2-yl)phenyl]methyl]cyclopropan-1-ol has a molecular weight of 219.33 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-aminobutan-2-yl)phenyl]methyl]cyclopropan-1-ol is sourced from PubChem (CID 115113530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).