3-amino-1-[3-(cycloheptylmethoxy)phenyl]propan-1-ol

C17H27NO2 — CID 25255502

IUPAC3-amino-1-[3-(cycloheptylmethoxy)phenyl]propan-1-ol
SMILESNCCC(O)c1cccc(OCC2CCCCCC2)c1
InChIInChI=1S/C17H27NO2/c18-11-10-17(19)15-8-5-9-16(12-15)20-13-14-6-3-1-2-4-7-14/h5,8-9,12,14,17,19H,1-4,6-7,10-11,13,18H2
InChIKeyUEAZKOLUSQKBDH-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.42
Rot. Bonds6

About 3-amino-1-[3-(cycloheptylmethoxy)phenyl]propan-1-ol

3-amino-1-[3-(cycloheptylmethoxy)phenyl]propan-1-ol (PubChem CID 25255502) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-amino-1-[3-(cycloheptylmethoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-amino-1-[3-(cycloheptylmethoxy)phenyl]propan-1-ol
PubChem CID25255502
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name3-amino-1-[3-(cycloheptylmethoxy)phenyl]propan-1-ol
SMILESNCCC(O)c1cccc(OCC2CCCCCC2)c1
InChIInChI=1S/C17H27NO2/c18-11-10-17(19)15-8-5-9-16(12-15)20-13-14-6-3-1-2-4-7-14/h5,8-9,12,14,17,19H,1-4,6-7,10-11,13,18H2
InChIKeyUEAZKOLUSQKBDH-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-(cycloheptylmethoxy)phenyl]propan-1-ol?
The IUPAC name of 3-amino-1-[3-(cycloheptylmethoxy)phenyl]propan-1-ol (CID 25255502) is 3-amino-1-[3-(cycloheptylmethoxy)phenyl]propan-1-ol.
What is the SMILES notation for 3-amino-1-[3-(cycloheptylmethoxy)phenyl]propan-1-ol?
The canonical SMILES for 3-amino-1-[3-(cycloheptylmethoxy)phenyl]propan-1-ol is NCCC(O)c1cccc(OCC2CCCCCC2)c1.
What is the InChIKey of 3-amino-1-[3-(cycloheptylmethoxy)phenyl]propan-1-ol?
The InChIKey is UEAZKOLUSQKBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c18-11-10-17(19)15-8-5-9-16(12-15)20-13-14-6-3-1-2-4-7-14/h5,8-9,12,14,17,19H,1-4,6-7,10-11,13,18H2.
What are the key properties of 3-amino-1-[3-(cycloheptylmethoxy)phenyl]propan-1-ol?
3-amino-1-[3-(cycloheptylmethoxy)phenyl]propan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-(cycloheptylmethoxy)phenyl]propan-1-ol is sourced from PubChem (CID 25255502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).