4-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylbutan-2-ol

C14H22ClNO — CID 79326810

IUPAC4-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylbutan-2-ol
SMILESCC(c1cccc(Cl)c1)N(C)CCC(C)(C)O
InChIInChI=1S/C14H22ClNO/c1-11(12-6-5-7-13(15)10-12)16(4)9-8-14(2,3)17/h5-7,10-11,17H,8-9H2,1-4H3
InChIKeyGEXLBJBXSBGGKM-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.49
Rot. Bonds5

About 4-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylbutan-2-ol

4-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylbutan-2-ol (PubChem CID 79326810) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 4-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylbutan-2-ol
PubChem CID79326810
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name4-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylbutan-2-ol
SMILESCC(c1cccc(Cl)c1)N(C)CCC(C)(C)O
InChIInChI=1S/C14H22ClNO/c1-11(12-6-5-7-13(15)10-12)16(4)9-8-14(2,3)17/h5-7,10-11,17H,8-9H2,1-4H3
InChIKeyGEXLBJBXSBGGKM-UHFFFAOYSA-N
XLogP3.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62980622
N'-[1-(3-chlorophenyl)ethyl]-N-(3,3-dimethylbutyl)-N'-methylethane-1,2-diamine
CID 63503143
4-[1-(3-chlorophenyl)ethyl-methylamino]-3,3-dimethylbutan-2-ol
CID 66455428
5-[1-(3-chlorophenyl)ethyl-methylamino]pentan-2-one
CID 62980413
N'-[1-(3-chlorophenyl)ethyl]-N'-methylheptane-1,7-diamine
CID 62985951
1-N-[1-(3-chlorophenyl)ethyl]-1-N,2,2-trimethylbutane-1,3-diamine
CID 66452152
1-N-[1-(3-chlorophenyl)ethyl]-1-N,4-dimethylpentane-1,3-diamine
CID 81490356
N'-[1-(3-chlorophenyl)ethyl]-N',2-dimethylbutane-1,4-diamine
CID 81080490
3-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypropanimidamide
CID 76979743
3-[1-(3-chlorophenyl)ethyl-methylamino]-2,2-dimethylpropanal
CID 62984348
1-(3-chlorophenyl)-N-[2-(1,3-dioxan-2-yl)ethyl]-N-methylethanamine
CID 66472315
N'-[1-(3-chlorophenyl)ethyl]-N'-methyl-N-(4-methylphenyl)ethane-1,2-diamine
CID 63503138

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylbutan-2-ol?
The IUPAC name of 4-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylbutan-2-ol (CID 79326810) is 4-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylbutan-2-ol?
The canonical SMILES for 4-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylbutan-2-ol is CC(c1cccc(Cl)c1)N(C)CCC(C)(C)O.
What is the InChIKey of 4-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylbutan-2-ol?
The InChIKey is GEXLBJBXSBGGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-11(12-6-5-7-13(15)10-12)16(4)9-8-14(2,3)17/h5-7,10-11,17H,8-9H2,1-4H3.
What are the key properties of 4-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylbutan-2-ol?
4-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylbutan-2-ol has a molecular weight of 255.79 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylbutan-2-ol is sourced from PubChem (CID 79326810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).