1-(4-chlorophenyl)-2,3-dimethyl-4-(methylamino)butan-2-ol

C13H20ClNO — CID 14852886

IUPAC1-(4-chlorophenyl)-2,3-dimethyl-4-(methylamino)butan-2-ol
SMILESCNCC(C)C(C)(O)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H20ClNO/c1-10(9-15-3)13(2,16)8-11-4-6-12(14)7-5-11/h4-7,10,15-16H,8-9H2,1-3H3
InChIKeyTYTWIESIKSLBEC-UHFFFAOYSA-N
MW241.76 g/mol
LogP2.49
Rot. Bonds5

About 1-(4-chlorophenyl)-2,3-dimethyl-4-(methylamino)butan-2-ol

1-(4-chlorophenyl)-2,3-dimethyl-4-(methylamino)butan-2-ol (PubChem CID 14852886) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2,3-dimethyl-4-(methylamino)butan-2-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2,3-dimethyl-4-(methylamino)butan-2-ol
PubChem CID14852886
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name1-(4-chlorophenyl)-2,3-dimethyl-4-(methylamino)butan-2-ol
SMILESCNCC(C)C(C)(O)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H20ClNO/c1-10(9-15-3)13(2,16)8-11-4-6-12(14)7-5-11/h4-7,10,15-16H,8-9H2,1-3H3
InChIKeyTYTWIESIKSLBEC-UHFFFAOYSA-N
XLogP2.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 26937
4-(4-Chlorophenyl)-4-hydroxypiperidine
CID 38282
Clobutinol Hydrochloride
CID 92876
alpha-[(Butylamino)methyl]-4-chloro-alpha-(4-chlorophenyl)benzenemethanol
CID 3257554
WY 45,818
CID 132499
1-[1-(3-Chlorophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-OL
CID 10265758
1-[1-(4-Chlorophenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
CID 11304005
1-(1-(4-Chlorophenyl)-2-(dimethylamino)ethyl)cyclohexanol
CID 13520310
4-[1-(4-Chlorophenyl)-2-methoxyethyl]piperidine;hydrochloride
CID 73347526
(-)-1-[(1R)-1-(3-Chlorophenyl)-2-(dimethylamino)ethyl]cyclohexanol
CID 24895014
(+)-1-[(1S)-1-(3-Chlorophenyl)-2-(dimethylamino)ethyl]cyclohexanol
CID 24895015
[4-(4-Chloro-phenyl)-piperidin-3-yl]-methanol
CID 44337772

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2,3-dimethyl-4-(methylamino)butan-2-ol?
The IUPAC name of 1-(4-chlorophenyl)-2,3-dimethyl-4-(methylamino)butan-2-ol (CID 14852886) is 1-(4-chlorophenyl)-2,3-dimethyl-4-(methylamino)butan-2-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-2,3-dimethyl-4-(methylamino)butan-2-ol?
The canonical SMILES for 1-(4-chlorophenyl)-2,3-dimethyl-4-(methylamino)butan-2-ol is CNCC(C)C(C)(O)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2,3-dimethyl-4-(methylamino)butan-2-ol?
The InChIKey is TYTWIESIKSLBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-10(9-15-3)13(2,16)8-11-4-6-12(14)7-5-11/h4-7,10,15-16H,8-9H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-2,3-dimethyl-4-(methylamino)butan-2-ol?
1-(4-chlorophenyl)-2,3-dimethyl-4-(methylamino)butan-2-ol has a molecular weight of 241.76 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2,3-dimethyl-4-(methylamino)butan-2-ol is sourced from PubChem (CID 14852886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).