2-(cycloheptylamino)-1-[3-(dimethylamino)phenyl]ethanol

C17H28N2O — CID 70463295

IUPAC2-(cycloheptylamino)-1-[3-(dimethylamino)phenyl]ethanol
SMILESCN(C)c1cccc(C(O)CNC2CCCCCC2)c1
InChIInChI=1S/C17H28N2O/c1-19(2)16-11-7-8-14(12-16)17(20)13-18-15-9-5-3-4-6-10-15/h7-8,11-12,15,17-18,20H,3-6,9-10,13H2,1-2H3
InChIKeyQSWCMHSFSBIKHK-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.10
Rot. Bonds5

About 2-(cycloheptylamino)-1-[3-(dimethylamino)phenyl]ethanol

2-(cycloheptylamino)-1-[3-(dimethylamino)phenyl]ethanol (PubChem CID 70463295) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-(cycloheptylamino)-1-[3-(dimethylamino)phenyl]ethanol.

Molecular Properties

Compound Name2-(cycloheptylamino)-1-[3-(dimethylamino)phenyl]ethanol
PubChem CID70463295
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-(cycloheptylamino)-1-[3-(dimethylamino)phenyl]ethanol
SMILESCN(C)c1cccc(C(O)CNC2CCCCCC2)c1
InChIInChI=1S/C17H28N2O/c1-19(2)16-11-7-8-14(12-16)17(20)13-18-15-9-5-3-4-6-10-15/h7-8,11-12,15,17-18,20H,3-6,9-10,13H2,1-2H3
InChIKeyQSWCMHSFSBIKHK-UHFFFAOYSA-N
XLogP3.10
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylamino)-1-[3-(dimethylamino)phenyl]ethanol?
The IUPAC name of 2-(cycloheptylamino)-1-[3-(dimethylamino)phenyl]ethanol (CID 70463295) is 2-(cycloheptylamino)-1-[3-(dimethylamino)phenyl]ethanol.
What is the SMILES notation for 2-(cycloheptylamino)-1-[3-(dimethylamino)phenyl]ethanol?
The canonical SMILES for 2-(cycloheptylamino)-1-[3-(dimethylamino)phenyl]ethanol is CN(C)c1cccc(C(O)CNC2CCCCCC2)c1.
What is the InChIKey of 2-(cycloheptylamino)-1-[3-(dimethylamino)phenyl]ethanol?
The InChIKey is QSWCMHSFSBIKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-19(2)16-11-7-8-14(12-16)17(20)13-18-15-9-5-3-4-6-10-15/h7-8,11-12,15,17-18,20H,3-6,9-10,13H2,1-2H3.
What are the key properties of 2-(cycloheptylamino)-1-[3-(dimethylamino)phenyl]ethanol?
2-(cycloheptylamino)-1-[3-(dimethylamino)phenyl]ethanol has a molecular weight of 276.42 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylamino)-1-[3-(dimethylamino)phenyl]ethanol is sourced from PubChem (CID 70463295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).