Nefopam Hydrochloride

C17H20ClNO — CID 155290

IUPAC5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocine;hydrochloride
SMILESCN1CCOC(C2=CC=CC=C2C1)C3=CC=CC=C3.Cl
InChIInChI=1S/C17H19NO.ClH/c1-18-11-12-19-17(14-7-3-2-4-8-14)16-10-6-5-9-15(16)13-18;/h2-10,17H,11-13H2,1H3;1H
InChIKeyCNNVSINJDJNHQK-UHFFFAOYSA-N
MW289.80 g/mol
LogP—
Rot. Bonds1

About Nefopam Hydrochloride

Nefopam Hydrochloride (PubChem CID 155290) has the molecular formula C17H20ClNO and a molecular weight of 289.80 g/mol. Its IUPAC name is 5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocine;hydrochloride.

Molecular Properties

Compound NameNefopam Hydrochloride
PubChem CID155290
Molecular FormulaC17H20ClNO
Molecular Weight289.80 g/mol
Exact Mass289.12
IUPAC Name5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocine;hydrochloride
SMILESCN1CCOC(C2=CC=CC=C2C1)C3=CC=CC=C3.Cl
InChIInChI=1S/C17H19NO.ClH/c1-18-11-12-19-17(14-7-3-2-4-8-14)16-10-6-5-9-15(16)13-18;/h2-10,17H,11-13H2,1H3;1H
InChIKeyCNNVSINJDJNHQK-UHFFFAOYSA-N
XLogP—
TPSA12.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity274

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Diphenhydramine Hydrochloride
CID 8980
Orphenadrine
CID 4601
Nefopam
CID 4450
Orphenadrine Hydrochloride
CID 9568
Ethylbenzhydramine
CID 12552
(+)-Nefopam
CID 184147
(-)-Nefopam
CID 176540
Lopac-O-3752
CID 736041
2-Phenyl-4-(2'-trifluoromethyl-biphenyl-4-ylmethyl)-morpholine
CID 16126849
N,N-dimethyl-1-phenyl-4-phenylmethoxycyclohexan-1-amine;hydrochloride
CID 21093241
(S)-2-Phenyl-4-(2'-trifluoromethyl-biphenyl-4-ylmethyl)-morpholine
CID 44573418
Ethylbenzhydramine hydrochloride
CID 66574

Frequently Asked Questions

What is the IUPAC name of Nefopam Hydrochloride?
The IUPAC name of Nefopam Hydrochloride (CID 155290) is 5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocine;hydrochloride.
What is the SMILES notation for Nefopam Hydrochloride?
The canonical SMILES for Nefopam Hydrochloride is CN1CCOC(C2=CC=CC=C2C1)C3=CC=CC=C3.Cl.
What is the InChIKey of Nefopam Hydrochloride?
The InChIKey is CNNVSINJDJNHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO.ClH/c1-18-11-12-19-17(14-7-3-2-4-8-14)16-10-6-5-9-15(16)13-18;/h2-10,17H,11-13H2,1H3;1H.
What are the key properties of Nefopam Hydrochloride?
Nefopam Hydrochloride has a molecular weight of 289.80 g/mol, XLogP of not available, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Nefopam Hydrochloride is sourced from PubChem (CID 155290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).