2-benzhydryloxy-N,N-dimethylethanamine;hydrochloride

C17H22ClNO — CID 8980

IUPAC2-benzhydryloxy-N,N-dimethylethanamine;hydrochloride
SMILESCN(C)CCOC(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C17H21NO.ClH/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h3-12,17H,13-14H2,1-2H3;1H
InChIKeyPCHPORCSPXIHLZ-UHFFFAOYSA-N
MW291.82 g/mol
LogP3.78
Rot. Bonds6

About 2-benzhydryloxy-N,N-dimethylethanamine;hydrochloride

2-benzhydryloxy-N,N-dimethylethanamine;hydrochloride (PubChem CID 8980) has the molecular formula C17H22ClNO and a molecular weight of 291.82 g/mol. Its IUPAC name is 2-benzhydryloxy-N,N-dimethylethanamine;hydrochloride.

Molecular Properties

Compound Name2-benzhydryloxy-N,N-dimethylethanamine;hydrochloride
PubChem CID8980
Molecular FormulaC17H22ClNO
Molecular Weight291.82 g/mol
Exact Mass291.14
IUPAC Name2-benzhydryloxy-N,N-dimethylethanamine;hydrochloride
SMILESCN(C)CCOC(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C17H21NO.ClH/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h3-12,17H,13-14H2,1-2H3;1H
InChIKeyPCHPORCSPXIHLZ-UHFFFAOYSA-N
XLogP3.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzhydryloxy-N,N-dimethylethanamine;hydrochloride?
The IUPAC name of 2-benzhydryloxy-N,N-dimethylethanamine;hydrochloride (CID 8980) is 2-benzhydryloxy-N,N-dimethylethanamine;hydrochloride.
What is the SMILES notation for 2-benzhydryloxy-N,N-dimethylethanamine;hydrochloride?
The canonical SMILES for 2-benzhydryloxy-N,N-dimethylethanamine;hydrochloride is CN(C)CCOC(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of 2-benzhydryloxy-N,N-dimethylethanamine;hydrochloride?
The InChIKey is PCHPORCSPXIHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO.ClH/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h3-12,17H,13-14H2,1-2H3;1H.
What are the key properties of 2-benzhydryloxy-N,N-dimethylethanamine;hydrochloride?
2-benzhydryloxy-N,N-dimethylethanamine;hydrochloride has a molecular weight of 291.82 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryloxy-N,N-dimethylethanamine;hydrochloride is sourced from PubChem (CID 8980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).