1-[[3-(3-aminopropyl)phenoxy]methyl]cycloheptan-1-ol

C17H27NO2 — CID 25255504

IUPAC1-[[3-(3-aminopropyl)phenoxy]methyl]cycloheptan-1-ol
SMILESNCCCc1cccc(OCC2(O)CCCCCC2)c1
InChIInChI=1S/C17H27NO2/c18-12-6-8-15-7-5-9-16(13-15)20-14-17(19)10-3-1-2-4-11-17/h5,7,9,13,19H,1-4,6,8,10-12,14,18H2
InChIKeyUFPZGYLOYSJUOR-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.04
Rot. Bonds6

About 1-[[3-(3-aminopropyl)phenoxy]methyl]cycloheptan-1-ol

1-[[3-(3-aminopropyl)phenoxy]methyl]cycloheptan-1-ol (PubChem CID 25255504) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[[3-(3-aminopropyl)phenoxy]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[[3-(3-aminopropyl)phenoxy]methyl]cycloheptan-1-ol
PubChem CID25255504
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-[[3-(3-aminopropyl)phenoxy]methyl]cycloheptan-1-ol
SMILESNCCCc1cccc(OCC2(O)CCCCCC2)c1
InChIInChI=1S/C17H27NO2/c18-12-6-8-15-7-5-9-16(13-15)20-14-17(19)10-3-1-2-4-11-17/h5,7,9,13,19H,1-4,6,8,10-12,14,18H2
InChIKeyUFPZGYLOYSJUOR-UHFFFAOYSA-N
XLogP3.04
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3-aminopropyl)phenoxy]methyl]cycloheptan-1-ol?
The IUPAC name of 1-[[3-(3-aminopropyl)phenoxy]methyl]cycloheptan-1-ol (CID 25255504) is 1-[[3-(3-aminopropyl)phenoxy]methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[[3-(3-aminopropyl)phenoxy]methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[[3-(3-aminopropyl)phenoxy]methyl]cycloheptan-1-ol is NCCCc1cccc(OCC2(O)CCCCCC2)c1.
What is the InChIKey of 1-[[3-(3-aminopropyl)phenoxy]methyl]cycloheptan-1-ol?
The InChIKey is UFPZGYLOYSJUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c18-12-6-8-15-7-5-9-16(13-15)20-14-17(19)10-3-1-2-4-11-17/h5,7,9,13,19H,1-4,6,8,10-12,14,18H2.
What are the key properties of 1-[[3-(3-aminopropyl)phenoxy]methyl]cycloheptan-1-ol?
1-[[3-(3-aminopropyl)phenoxy]methyl]cycloheptan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3-aminopropyl)phenoxy]methyl]cycloheptan-1-ol is sourced from PubChem (CID 25255504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).