1-(N-ethyl-3-methylanilino)-4,4-dimethylpentan-3-ol

C16H27NO — CID 62623748

IUPAC1-(N-ethyl-3-methylanilino)-4,4-dimethylpentan-3-ol
SMILESCCN(CCC(O)C(C)(C)C)c1cccc(C)c1
InChIInChI=1S/C16H27NO/c1-6-17(11-10-15(18)16(3,4)5)14-9-7-8-13(2)12-14/h7-9,12,15,18H,6,10-11H2,1-5H3
InChIKeyZWLHNUCLYRFSLV-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.62
Rot. Bonds5

About 1-(N-ethyl-3-methylanilino)-4,4-dimethylpentan-3-ol

1-(N-ethyl-3-methylanilino)-4,4-dimethylpentan-3-ol (PubChem CID 62623748) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(N-ethyl-3-methylanilino)-4,4-dimethylpentan-3-ol.

Molecular Properties

Compound Name1-(N-ethyl-3-methylanilino)-4,4-dimethylpentan-3-ol
PubChem CID62623748
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-(N-ethyl-3-methylanilino)-4,4-dimethylpentan-3-ol
SMILESCCN(CCC(O)C(C)(C)C)c1cccc(C)c1
InChIInChI=1S/C16H27NO/c1-6-17(11-10-15(18)16(3,4)5)14-9-7-8-13(2)12-14/h7-9,12,15,18H,6,10-11H2,1-5H3
InChIKeyZWLHNUCLYRFSLV-UHFFFAOYSA-N
XLogP3.62
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
CID 57172568
ethane;2-(N-ethyl-3-methylanilino)ethanol
CID 142945476
N,N'-diethyl-N,N'-bis(3-methylphenyl)hexane-1,6-diamine
CID 91719494
1-(N-ethyl-3-methylanilino)-2-methylpropan-2-ol
CID 61101851
2-(N-ethylanilino)ethanol;2-(N-ethyl-3-methylanilino)ethanol
CID 67646691
1-(N-ethyl-3-methylanilino)-2-phenylpropan-2-ol
CID 62374821
3-(N-ethyl-3-methylanilino)-2,2-dimethylpropan-1-ol
CID 62272248
N-tert-butyl-N'-ethyl-N'-(3-methylphenyl)propane-1,3-diamine
CID 61077284
3-(N-ethyl-3-methylanilino)propanethioamide
CID 39160770
N'-ethyl-N'-(3-methylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 20811771
N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-ethyl-3-methylaniline
CID 91719512
4-(N-ethyl-3-methylanilino)-2-(propan-2-ylamino)butanenitrile
CID 63030054

Frequently Asked Questions

What is the IUPAC name of 1-(N-ethyl-3-methylanilino)-4,4-dimethylpentan-3-ol?
The IUPAC name of 1-(N-ethyl-3-methylanilino)-4,4-dimethylpentan-3-ol (CID 62623748) is 1-(N-ethyl-3-methylanilino)-4,4-dimethylpentan-3-ol.
What is the SMILES notation for 1-(N-ethyl-3-methylanilino)-4,4-dimethylpentan-3-ol?
The canonical SMILES for 1-(N-ethyl-3-methylanilino)-4,4-dimethylpentan-3-ol is CCN(CCC(O)C(C)(C)C)c1cccc(C)c1.
What is the InChIKey of 1-(N-ethyl-3-methylanilino)-4,4-dimethylpentan-3-ol?
The InChIKey is ZWLHNUCLYRFSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-6-17(11-10-15(18)16(3,4)5)14-9-7-8-13(2)12-14/h7-9,12,15,18H,6,10-11H2,1-5H3.
What are the key properties of 1-(N-ethyl-3-methylanilino)-4,4-dimethylpentan-3-ol?
1-(N-ethyl-3-methylanilino)-4,4-dimethylpentan-3-ol has a molecular weight of 249.40 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N-ethyl-3-methylanilino)-4,4-dimethylpentan-3-ol is sourced from PubChem (CID 62623748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).