1-(3-chlorophenyl)-4-(dimethylamino)-1-phenylbutan-1-ol

C18H22ClNO — CID 24834786

IUPAC1-(3-chlorophenyl)-4-(dimethylamino)-1-phenylbutan-1-ol
SMILESCN(C)CCCC(O)(c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C18H22ClNO/c1-20(2)13-7-12-18(21,15-8-4-3-5-9-15)16-10-6-11-17(19)14-16/h3-6,8-11,14,21H,7,12-13H2,1-2H3
InChIKeyWPABLODDZJATJH-UHFFFAOYSA-N
MW303.83 g/mol
LogP3.92
Rot. Bonds6

About 1-(3-chlorophenyl)-4-(dimethylamino)-1-phenylbutan-1-ol

1-(3-chlorophenyl)-4-(dimethylamino)-1-phenylbutan-1-ol (PubChem CID 24834786) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-(dimethylamino)-1-phenylbutan-1-ol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-(dimethylamino)-1-phenylbutan-1-ol
PubChem CID24834786
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name1-(3-chlorophenyl)-4-(dimethylamino)-1-phenylbutan-1-ol
SMILESCN(C)CCCC(O)(c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C18H22ClNO/c1-20(2)13-7-12-18(21,15-8-4-3-5-9-15)16-10-6-11-17(19)14-16/h3-6,8-11,14,21H,7,12-13H2,1-2H3
InChIKeyWPABLODDZJATJH-UHFFFAOYSA-N
XLogP3.92
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-bis(4-chlorophenyl)-4-(dimethylamino)butan-1-ol
CID 52946911
1-(5-chloro-2-methylsulfanylphenyl)-4-(dimethylamino)-1-phenylbutan-1-ol
CID 24834788
4-(dimethylamino)-1-phenyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol
CID 163905024
1-(3-chlorophenyl)-1-cyclopropyl-3-(dimethylamino)propan-1-ol
CID 19816177
4-[4-[2-[3-[4-(dimethylamino)-1-hydroxy-1-phenylbutyl]phenoxy]ethoxy]phenyl]benzoic acid
CID 52949401
6-(dimethylamino)-2,3-dimethyl-2-phenylhexan-3-ol
CID 11834795
(2R)-2-(3-chlorophenyl)pentan-2-ol
CID 93299128
(1R)-1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride
CID 73415977
4-(3-chlorophenyl)-4,4-diphenylbutan-1-amine
CID 57326677
6-(dimethylamino)-2-methyl-1,3-diphenylhexan-3-ol
CID 70534520
1-(4-chloronaphthalen-1-yl)-4-(dimethylamino)-1-pyridin-4-ylbutan-1-ol
CID 547158
1-(3-chlorophenyl)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-phenyloctan-1-ol
CID 162347445

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-(dimethylamino)-1-phenylbutan-1-ol?
The IUPAC name of 1-(3-chlorophenyl)-4-(dimethylamino)-1-phenylbutan-1-ol (CID 24834786) is 1-(3-chlorophenyl)-4-(dimethylamino)-1-phenylbutan-1-ol.
What is the SMILES notation for 1-(3-chlorophenyl)-4-(dimethylamino)-1-phenylbutan-1-ol?
The canonical SMILES for 1-(3-chlorophenyl)-4-(dimethylamino)-1-phenylbutan-1-ol is CN(C)CCCC(O)(c1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-4-(dimethylamino)-1-phenylbutan-1-ol?
The InChIKey is WPABLODDZJATJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-20(2)13-7-12-18(21,15-8-4-3-5-9-15)16-10-6-11-17(19)14-16/h3-6,8-11,14,21H,7,12-13H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-4-(dimethylamino)-1-phenylbutan-1-ol?
1-(3-chlorophenyl)-4-(dimethylamino)-1-phenylbutan-1-ol has a molecular weight of 303.83 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-(dimethylamino)-1-phenylbutan-1-ol is sourced from PubChem (CID 24834786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).