1-[2-(4-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol

C13H20ClNO — CID 111122688

IUPAC1-[2-(4-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
SMILESCN(CCc1ccc(Cl)cc1)CC(C)(C)O
InChIInChI=1S/C13H20ClNO/c1-13(2,16)10-15(3)9-8-11-4-6-12(14)7-5-11/h4-7,16H,8-10H2,1-3H3
InChIKeySRFHBPOFHZOHLX-UHFFFAOYSA-N
MW241.76 g/mol
LogP2.59
Rot. Bonds5

About 1-[2-(4-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol

1-[2-(4-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol (PubChem CID 111122688) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
PubChem CID111122688
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name1-[2-(4-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
SMILESCN(CCc1ccc(Cl)cc1)CC(C)(C)O
InChIInChI=1S/C13H20ClNO/c1-13(2,16)10-15(3)9-8-11-4-6-12(14)7-5-11/h4-7,16H,8-10H2,1-3H3
InChIKeySRFHBPOFHZOHLX-UHFFFAOYSA-N
XLogP2.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[2-(4-chlorophenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115222505
N-(chloromethyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 115263462
2-(4-chlorophenyl)-N-(methoxymethyl)-N-methylethanamine
CID 115258974
2-methyl-1-[methyl(4-phenylbutyl)amino]propan-2-ol
CID 110932562
1-[[2-(4-chlorophenyl)-2-hydroxyethyl]-methylamino]-2-methylpropan-2-ol
CID 111336418
3-[2-(4-chlorophenyl)ethyl-methylamino]propanenitrile
CID 94259030
1-[(4-chlorophenyl)methyl-ethylamino]-2-methylpropan-2-ol
CID 78962077
4-[2-(4-chlorophenyl)ethyl-methylamino]butanoic acid
CID 115218768
1-amino-3-[2-(4-chlorophenyl)ethyl-methylamino]propan-2-ol
CID 115121708
methyl 3-[2-(4-chlorophenyl)ethyl-methylamino]propanoate
CID 115232554
1-N-[(4-chlorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
CID 61414760
N-[2-(4-chlorophenyl)ethyl]-N,2-dimethyl-2-(methylamino)propanamide
CID 115165826

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol (CID 111122688) is 1-[2-(4-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol is CN(CCc1ccc(Cl)cc1)CC(C)(C)O.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol?
The InChIKey is SRFHBPOFHZOHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-13(2,16)10-15(3)9-8-11-4-6-12(14)7-5-11/h4-7,16H,8-10H2,1-3H3.
What are the key properties of 1-[2-(4-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol?
1-[2-(4-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol has a molecular weight of 241.76 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 111122688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).