1-[[4-(diethylaminomethyl)phenyl]methyl]cyclopropan-1-ol

C15H23NO — CID 117339086

IUPAC1-[[4-(diethylaminomethyl)phenyl]methyl]cyclopropan-1-ol
SMILESCCN(CC)Cc1ccc(CC2(O)CC2)cc1
InChIInChI=1S/C15H23NO/c1-3-16(4-2)12-14-7-5-13(6-8-14)11-15(17)9-10-15/h5-8,17H,3-4,9-12H2,1-2H3
InChIKeyITRBTUDXOYMNGG-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.60
Rot. Bonds6

About 1-[[4-(diethylaminomethyl)phenyl]methyl]cyclopropan-1-ol

1-[[4-(diethylaminomethyl)phenyl]methyl]cyclopropan-1-ol (PubChem CID 117339086) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-[[4-(diethylaminomethyl)phenyl]methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[[4-(diethylaminomethyl)phenyl]methyl]cyclopropan-1-ol
PubChem CID117339086
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-[[4-(diethylaminomethyl)phenyl]methyl]cyclopropan-1-ol
SMILESCCN(CC)Cc1ccc(CC2(O)CC2)cc1
InChIInChI=1S/C15H23NO/c1-3-16(4-2)12-14-7-5-13(6-8-14)11-15(17)9-10-15/h5-8,17H,3-4,9-12H2,1-2H3
InChIKeyITRBTUDXOYMNGG-UHFFFAOYSA-N
XLogP2.60
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(diethylaminomethyl)phenyl]methyl]cyclopropan-1-ol?
The IUPAC name of 1-[[4-(diethylaminomethyl)phenyl]methyl]cyclopropan-1-ol (CID 117339086) is 1-[[4-(diethylaminomethyl)phenyl]methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[[4-(diethylaminomethyl)phenyl]methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[[4-(diethylaminomethyl)phenyl]methyl]cyclopropan-1-ol is CCN(CC)Cc1ccc(CC2(O)CC2)cc1.
What is the InChIKey of 1-[[4-(diethylaminomethyl)phenyl]methyl]cyclopropan-1-ol?
The InChIKey is ITRBTUDXOYMNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-16(4-2)12-14-7-5-13(6-8-14)11-15(17)9-10-15/h5-8,17H,3-4,9-12H2,1-2H3.
What are the key properties of 1-[[4-(diethylaminomethyl)phenyl]methyl]cyclopropan-1-ol?
1-[[4-(diethylaminomethyl)phenyl]methyl]cyclopropan-1-ol has a molecular weight of 233.35 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(diethylaminomethyl)phenyl]methyl]cyclopropan-1-ol is sourced from PubChem (CID 117339086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).