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

C13H20ClNO — CID 62978499

IUPAC1-[1-(2-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
SMILESCC(c1ccccc1Cl)N(C)CC(C)(C)O
InChIInChI=1S/C13H20ClNO/c1-10(15(4)9-13(2,3)16)11-7-5-6-8-12(11)14/h5-8,10,16H,9H2,1-4H3
InChIKeyIYEFVMNHCZPJOL-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.10
Rot. Bonds4

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

1-[1-(2-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol (PubChem CID 62978499) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 1-[1-(2-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[1-(2-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
PubChem CID62978499
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name1-[1-(2-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
SMILESCC(c1ccccc1Cl)N(C)CC(C)(C)O
InChIInChI=1S/C13H20ClNO/c1-10(15(4)9-13(2,3)16)11-7-5-6-8-12(11)14/h5-8,10,16H,9H2,1-4H3
InChIKeyIYEFVMNHCZPJOL-UHFFFAOYSA-N
XLogP3.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(2-chlorophenyl)ethyl-methylamino]-3,3-dimethylbutan-2-ol
CID 66455427
1-[1-(2-fluorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62980625
1-N-[1-(2-chlorophenyl)ethyl]-1-N-methyl-2-phenylpropane-1,2-diamine
CID 62984016
1-(2-chlorophenyl)-N-ethyl-N-methylethanamine
CID 126986399
1-[[2-amino-1-(2-chlorophenyl)butyl]-methylamino]-2-methylpropan-2-ol
CID 79384483
N-[1-(2-chlorophenyl)ethyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 63494911
N-(2-chloroethyl)-1-(2-chlorophenyl)-N-methylethanamine
CID 62984501
N-tert-butyl-2-[1-(2-chlorophenyl)ethyl-methylamino]acetamide
CID 84831983
N-tert-butyl-2-[[(1R)-1-(2-chlorophenyl)ethyl]-methylamino]acetamide
CID 8767576
N-(2-bromoethyl)-1-(2-chlorophenyl)-N-methylethanamine
CID 62984503
1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylpropane-1,2-diamine
CID 62985590
1-(tert-butylamino)-3-[1-(2-chlorophenyl)ethyl-methylamino]propan-2-ol
CID 115475273

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[1-(2-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol (CID 62978499) is 1-[1-(2-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[1-(2-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[1-(2-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol is CC(c1ccccc1Cl)N(C)CC(C)(C)O.
What is the InChIKey of 1-[1-(2-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol?
The InChIKey is IYEFVMNHCZPJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-10(15(4)9-13(2,3)16)11-7-5-6-8-12(11)14/h5-8,10,16H,9H2,1-4H3.
What are the key properties of 1-[1-(2-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol?
1-[1-(2-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol has a molecular weight of 241.76 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 62978499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).