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

C15H24ClNO — CID 66455428

IUPAC4-[1-(3-chlorophenyl)ethyl-methylamino]-3,3-dimethylbutan-2-ol
SMILESCC(c1cccc(Cl)c1)N(C)CC(C)(C)C(C)O
InChIInChI=1S/C15H24ClNO/c1-11(13-7-6-8-14(16)9-13)17(5)10-15(3,4)12(2)18/h6-9,11-12,18H,10H2,1-5H3
InChIKeyQEWLNUSIWPIIMU-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.74
Rot. Bonds5

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

4-[1-(3-chlorophenyl)ethyl-methylamino]-3,3-dimethylbutan-2-ol (PubChem CID 66455428) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 4-[1-(3-chlorophenyl)ethyl-methylamino]-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name4-[1-(3-chlorophenyl)ethyl-methylamino]-3,3-dimethylbutan-2-ol
PubChem CID66455428
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name4-[1-(3-chlorophenyl)ethyl-methylamino]-3,3-dimethylbutan-2-ol
SMILESCC(c1cccc(Cl)c1)N(C)CC(C)(C)C(C)O
InChIInChI=1S/C15H24ClNO/c1-11(13-7-6-8-14(16)9-13)17(5)10-15(3,4)12(2)18/h6-9,11-12,18H,10H2,1-5H3
InChIKeyQEWLNUSIWPIIMU-UHFFFAOYSA-N
XLogP3.74
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.74
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
1-N-[1-(3-chlorophenyl)ethyl]-1-N,2,2-trimethylbutane-1,3-diamine
CID 66452152
3-[1-(3-chlorophenyl)ethyl-methylamino]-2,2-dimethylpropanal
CID 62984348
4-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylbutan-2-ol
CID 79326810
N-[1-(3-chlorophenyl)ethyl]-2-ethyl-N,N',2-trimethylpropane-1,3-diamine
CID 62985407
4-[1-(2-chlorophenyl)ethyl-methylamino]-3,3-dimethylbutan-2-ol
CID 66455427
N-[1-(3-chlorophenyl)ethyl]-2-ethyl-N,2-dimethyl-N'-propylpropane-1,3-diamine
CID 63494918
N'-[1-(3-chlorophenyl)ethyl]-N'-methyl-2-methylidenepropane-1,3-diamine
CID 103070459
[3-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]oxetan-3-yl]methanol
CID 111976655
N'-[1-(3-chlorophenyl)ethyl]-N-(3,3-dimethylbutyl)-N'-methylethane-1,2-diamine
CID 63503143
N-[2-(4-bromophenoxy)ethyl]-1-(3-chlorophenyl)-N-methylethanamine
CID 63456679
4-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]benzenecarbothioamide
CID 62980580

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-chlorophenyl)ethyl-methylamino]-3,3-dimethylbutan-2-ol?
The IUPAC name of 4-[1-(3-chlorophenyl)ethyl-methylamino]-3,3-dimethylbutan-2-ol (CID 66455428) is 4-[1-(3-chlorophenyl)ethyl-methylamino]-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 4-[1-(3-chlorophenyl)ethyl-methylamino]-3,3-dimethylbutan-2-ol?
The canonical SMILES for 4-[1-(3-chlorophenyl)ethyl-methylamino]-3,3-dimethylbutan-2-ol is CC(c1cccc(Cl)c1)N(C)CC(C)(C)C(C)O.
What is the InChIKey of 4-[1-(3-chlorophenyl)ethyl-methylamino]-3,3-dimethylbutan-2-ol?
The InChIKey is QEWLNUSIWPIIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-11(13-7-6-8-14(16)9-13)17(5)10-15(3,4)12(2)18/h6-9,11-12,18H,10H2,1-5H3.
What are the key properties of 4-[1-(3-chlorophenyl)ethyl-methylamino]-3,3-dimethylbutan-2-ol?
4-[1-(3-chlorophenyl)ethyl-methylamino]-3,3-dimethylbutan-2-ol has a molecular weight of 269.82 g/mol, XLogP of 3.74, 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]-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 66455428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).