4-(dimethylamino)-1-(2-phenylphenyl)butan-1-ol;hydrochloride

C18H24ClNO — CID 12944238

IUPAC4-(dimethylamino)-1-(2-phenylphenyl)butan-1-ol;hydrochloride
SMILESCN(C)CCCC(O)c1ccccc1-c1ccccc1.Cl
InChIInChI=1S/C18H23NO.ClH/c1-19(2)14-8-13-18(20)17-12-7-6-11-16(17)15-9-4-3-5-10-15;/h3-7,9-12,18,20H,8,13-14H2,1-2H3;1H
InChIKeyQCRSZDFJYURUJK-UHFFFAOYSA-N
MW305.85 g/mol
LogP4.15
Rot. Bonds6

About 4-(dimethylamino)-1-(2-phenylphenyl)butan-1-ol;hydrochloride

4-(dimethylamino)-1-(2-phenylphenyl)butan-1-ol;hydrochloride (PubChem CID 12944238) has the molecular formula C18H24ClNO and a molecular weight of 305.85 g/mol. Its IUPAC name is 4-(dimethylamino)-1-(2-phenylphenyl)butan-1-ol;hydrochloride.

Molecular Properties

Compound Name4-(dimethylamino)-1-(2-phenylphenyl)butan-1-ol;hydrochloride
PubChem CID12944238
Molecular FormulaC18H24ClNO
Molecular Weight305.85 g/mol
Exact Mass305.15
IUPAC Name4-(dimethylamino)-1-(2-phenylphenyl)butan-1-ol;hydrochloride
SMILESCN(C)CCCC(O)c1ccccc1-c1ccccc1.Cl
InChIInChI=1S/C18H23NO.ClH/c1-19(2)14-8-13-18(20)17-12-7-6-11-16(17)15-9-4-3-5-10-15;/h3-7,9-12,18,20H,8,13-14H2,1-2H3;1H
InChIKeyQCRSZDFJYURUJK-UHFFFAOYSA-N
XLogP4.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-1-(2-phenylphenyl)butan-1-ol;hydrochloride?
The IUPAC name of 4-(dimethylamino)-1-(2-phenylphenyl)butan-1-ol;hydrochloride (CID 12944238) is 4-(dimethylamino)-1-(2-phenylphenyl)butan-1-ol;hydrochloride.
What is the SMILES notation for 4-(dimethylamino)-1-(2-phenylphenyl)butan-1-ol;hydrochloride?
The canonical SMILES for 4-(dimethylamino)-1-(2-phenylphenyl)butan-1-ol;hydrochloride is CN(C)CCCC(O)c1ccccc1-c1ccccc1.Cl.
What is the InChIKey of 4-(dimethylamino)-1-(2-phenylphenyl)butan-1-ol;hydrochloride?
The InChIKey is QCRSZDFJYURUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO.ClH/c1-19(2)14-8-13-18(20)17-12-7-6-11-16(17)15-9-4-3-5-10-15;/h3-7,9-12,18,20H,8,13-14H2,1-2H3;1H.
What are the key properties of 4-(dimethylamino)-1-(2-phenylphenyl)butan-1-ol;hydrochloride?
4-(dimethylamino)-1-(2-phenylphenyl)butan-1-ol;hydrochloride has a molecular weight of 305.85 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-1-(2-phenylphenyl)butan-1-ol;hydrochloride is sourced from PubChem (CID 12944238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).