1-[(4-chlorophenyl)methyl-ethylamino]-2-methylpropan-2-ol

C13H20ClNO — CID 78962077

IUPAC1-[(4-chlorophenyl)methyl-ethylamino]-2-methylpropan-2-ol
SMILESCCN(Cc1ccc(Cl)cc1)CC(C)(C)O
InChIInChI=1S/C13H20ClNO/c1-4-15(10-13(2,3)16)9-11-5-7-12(14)8-6-11/h5-8,16H,4,9-10H2,1-3H3
InChIKeyYORKAQCYMPJRJX-UHFFFAOYSA-N
MW241.76 g/mol
LogP2.93
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl-ethylamino]-2-methylpropan-2-ol

1-[(4-chlorophenyl)methyl-ethylamino]-2-methylpropan-2-ol (PubChem CID 78962077) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl-ethylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl-ethylamino]-2-methylpropan-2-ol
PubChem CID78962077
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name1-[(4-chlorophenyl)methyl-ethylamino]-2-methylpropan-2-ol
SMILESCCN(Cc1ccc(Cl)cc1)CC(C)(C)O
InChIInChI=1S/C13H20ClNO/c1-4-15(10-13(2,3)16)9-11-5-7-12(14)8-6-11/h5-8,16H,4,9-10H2,1-3H3
InChIKeyYORKAQCYMPJRJX-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(4-chlorophenyl)methyl-ethylamino]-2-methylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[ethyl(pyridin-4-ylmethyl)amino]-2-methylpropan-2-ol
CID 61449194
1-[(3,4-dimethylphenyl)methyl-ethylamino]-2-methylpropan-2-ol
CID 79389462
1-[[4-(aminomethyl)-2-chlorophenyl]methyl-ethylamino]-2-methylpropan-2-ol
CID 102663034
1-[2,3-dihydro-1H-inden-5-ylmethyl(ethyl)amino]-2-methylpropan-2-ol
CID 78966629
1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-ethylamino]-2-methylpropan-2-ol
CID 78963128
2-(4-chlorophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 79381431
1-[ethyl-[[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]methyl]amino]-2-methylpropan-2-ol
CID 79379712
1-[(3-amino-4-methoxyphenyl)methyl-ethylamino]-2-methylpropan-2-ol
CID 79384589
4-[(4-chlorophenyl)methyl-methylamino]-3,3-dimethylbutan-2-one
CID 66453591
1-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-ethylamino]-2-methylpropan-2-ol
CID 78964731
1-[2-(4-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 111122688
1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-ethylamino]-2-methylpropan-2-ol
CID 80611171

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl-ethylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(4-chlorophenyl)methyl-ethylamino]-2-methylpropan-2-ol (CID 78962077) is 1-[(4-chlorophenyl)methyl-ethylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl-ethylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(4-chlorophenyl)methyl-ethylamino]-2-methylpropan-2-ol is CCN(Cc1ccc(Cl)cc1)CC(C)(C)O.
What is the InChIKey of 1-[(4-chlorophenyl)methyl-ethylamino]-2-methylpropan-2-ol?
The InChIKey is YORKAQCYMPJRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-4-15(10-13(2,3)16)9-11-5-7-12(14)8-6-11/h5-8,16H,4,9-10H2,1-3H3.
What are the key properties of 1-[(4-chlorophenyl)methyl-ethylamino]-2-methylpropan-2-ol?
1-[(4-chlorophenyl)methyl-ethylamino]-2-methylpropan-2-ol has a molecular weight of 241.76 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl-ethylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 78962077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).