2-benzhydryloxy-N,N-dimethylethanamine;perchloric acid

C17H22ClNO5 — CID 71349931

IUPAC2-benzhydryloxy-N,N-dimethylethanamine;perchloric acid
SMILESCN(C)CCOC(c1ccccc1)c1ccccc1.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C17H21NO.ClHO4/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;2-1(3,4)5/h3-12,17H,13-14H2,1-2H3;(H,2,3,4,5)
InChIKeyYSSHEKJUVJSCRW-UHFFFAOYSA-N
MW355.82 g/mol
LogP-0.77
Rot. Bonds6

About 2-benzhydryloxy-N,N-dimethylethanamine;perchloric acid

2-benzhydryloxy-N,N-dimethylethanamine;perchloric acid (PubChem CID 71349931) has the molecular formula C17H22ClNO5 and a molecular weight of 355.82 g/mol. Its IUPAC name is 2-benzhydryloxy-N,N-dimethylethanamine;perchloric acid.

Molecular Properties

Compound Name2-benzhydryloxy-N,N-dimethylethanamine;perchloric acid
PubChem CID71349931
Molecular FormulaC17H22ClNO5
Molecular Weight355.82 g/mol
Exact Mass355.12
IUPAC Name2-benzhydryloxy-N,N-dimethylethanamine;perchloric acid
SMILESCN(C)CCOC(c1ccccc1)c1ccccc1.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C17H21NO.ClHO4/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;2-1(3,4)5/h3-12,17H,13-14H2,1-2H3;(H,2,3,4,5)
InChIKeyYSSHEKJUVJSCRW-UHFFFAOYSA-N
XLogP-0.77
TPSA101.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.82
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-benzhydryloxy-N,N-dimethylethanamine;perchloric acid?
The IUPAC name of 2-benzhydryloxy-N,N-dimethylethanamine;perchloric acid (CID 71349931) is 2-benzhydryloxy-N,N-dimethylethanamine;perchloric acid.
What is the SMILES notation for 2-benzhydryloxy-N,N-dimethylethanamine;perchloric acid?
The canonical SMILES for 2-benzhydryloxy-N,N-dimethylethanamine;perchloric acid is CN(C)CCOC(c1ccccc1)c1ccccc1.[O-][Cl+3]([O-])([O-])O.
What is the InChIKey of 2-benzhydryloxy-N,N-dimethylethanamine;perchloric acid?
The InChIKey is YSSHEKJUVJSCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO.ClHO4/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;2-1(3,4)5/h3-12,17H,13-14H2,1-2H3;(H,2,3,4,5).
What are the key properties of 2-benzhydryloxy-N,N-dimethylethanamine;perchloric acid?
2-benzhydryloxy-N,N-dimethylethanamine;perchloric acid has a molecular weight of 355.82 g/mol, XLogP of -0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryloxy-N,N-dimethylethanamine;perchloric acid is sourced from PubChem (CID 71349931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).