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

C16H26ClNO — CID 55142601

IUPAC1-[1-(4-chlorophenyl)ethyl-methylamino]-4,4-dimethylpentan-3-ol
SMILESCC(c1ccc(Cl)cc1)N(C)CCC(O)C(C)(C)C
InChIInChI=1S/C16H26ClNO/c1-12(13-6-8-14(17)9-7-13)18(5)11-10-15(19)16(2,3)4/h6-9,12,15,19H,10-11H2,1-5H3
InChIKeyIKDSMULUNJSRJZ-UHFFFAOYSA-N
MW283.84 g/mol
LogP4.13
Rot. Bonds5

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

1-[1-(4-chlorophenyl)ethyl-methylamino]-4,4-dimethylpentan-3-ol (PubChem CID 55142601) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)ethyl-methylamino]-4,4-dimethylpentan-3-ol.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)ethyl-methylamino]-4,4-dimethylpentan-3-ol
PubChem CID55142601
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name1-[1-(4-chlorophenyl)ethyl-methylamino]-4,4-dimethylpentan-3-ol
SMILESCC(c1ccc(Cl)cc1)N(C)CCC(O)C(C)(C)C
InChIInChI=1S/C16H26ClNO/c1-12(13-6-8-14(17)9-7-13)18(5)11-10-15(19)16(2,3)4/h6-9,12,15,19H,10-11H2,1-5H3
InChIKeyIKDSMULUNJSRJZ-UHFFFAOYSA-N
XLogP4.13
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromoethyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 62984148
N'-[1-(4-chlorophenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 62980472
tert-butyl 3-[1-(4-chlorophenyl)ethyl-methylamino]propanoate
CID 115590823
N-[2-(2-aminoethoxy)ethyl]-1-(4-chlorophenyl)-N-methylethanamine
CID 79479688
3-[1-(4-chlorophenyl)ethyl-methylamino]-2,2-dimethylpropanal
CID 55140473
N-[1-(4-chlorophenyl)ethyl]-N,2,2-trimethylbutane-1,4-diamine
CID 114285473
1-(4-chlorophenyl)-N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethylpropane-1,3-diamine
CID 62645380
3-N-[1-(4-chlorophenyl)ethyl]-3-N,4,4-trimethylpentane-2,3-diamine
CID 55139687
1-N-[1-(4-chlorophenyl)ethyl]-2-N-ethyl-1-N,2-dimethylpropane-1,2-diamine
CID 62979231
(2R)-2-amino-N-[1-(4-chlorophenyl)ethyl]-N,3,3-trimethylbutanamide
CID 103929186
N'-[1-(4-chlorophenyl)ethyl]-N-ethyl-N'-methylbutane-1,4-diamine
CID 62983848
1-(4-chlorophenyl)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-1-ol
CID 112665146

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)ethyl-methylamino]-4,4-dimethylpentan-3-ol?
The IUPAC name of 1-[1-(4-chlorophenyl)ethyl-methylamino]-4,4-dimethylpentan-3-ol (CID 55142601) is 1-[1-(4-chlorophenyl)ethyl-methylamino]-4,4-dimethylpentan-3-ol.
What is the SMILES notation for 1-[1-(4-chlorophenyl)ethyl-methylamino]-4,4-dimethylpentan-3-ol?
The canonical SMILES for 1-[1-(4-chlorophenyl)ethyl-methylamino]-4,4-dimethylpentan-3-ol is CC(c1ccc(Cl)cc1)N(C)CCC(O)C(C)(C)C.
What is the InChIKey of 1-[1-(4-chlorophenyl)ethyl-methylamino]-4,4-dimethylpentan-3-ol?
The InChIKey is IKDSMULUNJSRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO/c1-12(13-6-8-14(17)9-7-13)18(5)11-10-15(19)16(2,3)4/h6-9,12,15,19H,10-11H2,1-5H3.
What are the key properties of 1-[1-(4-chlorophenyl)ethyl-methylamino]-4,4-dimethylpentan-3-ol?
1-[1-(4-chlorophenyl)ethyl-methylamino]-4,4-dimethylpentan-3-ol has a molecular weight of 283.84 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)ethyl-methylamino]-4,4-dimethylpentan-3-ol is sourced from PubChem (CID 55142601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).