3-(5-ethyl-2-methoxyanilino)-2,2-dimethylpropan-1-ol

C14H23NO2 — CID 115135120

IUPAC3-(5-ethyl-2-methoxyanilino)-2,2-dimethylpropan-1-ol
SMILESCCc1ccc(OC)c(NCC(C)(C)CO)c1
InChIInChI=1S/C14H23NO2/c1-5-11-6-7-13(17-4)12(8-11)15-9-14(2,3)10-16/h6-8,15-16H,5,9-10H2,1-4H3
InChIKeyNMOILYNPBYPEOX-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.69
Rot. Bonds6

About 3-(5-ethyl-2-methoxyanilino)-2,2-dimethylpropan-1-ol

3-(5-ethyl-2-methoxyanilino)-2,2-dimethylpropan-1-ol (PubChem CID 115135120) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-(5-ethyl-2-methoxyanilino)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-(5-ethyl-2-methoxyanilino)-2,2-dimethylpropan-1-ol
PubChem CID115135120
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-(5-ethyl-2-methoxyanilino)-2,2-dimethylpropan-1-ol
SMILESCCc1ccc(OC)c(NCC(C)(C)CO)c1
InChIInChI=1S/C14H23NO2/c1-5-11-6-7-13(17-4)12(8-11)15-9-14(2,3)10-16/h6-8,15-16H,5,9-10H2,1-4H3
InChIKeyNMOILYNPBYPEOX-UHFFFAOYSA-N
XLogP2.69
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(bromomethyl)-5-ethyl-2-methoxyaniline
CID 115261556
N'-(5-ethyl-2-methoxyphenyl)-N-methylmethanediamine
CID 115226519
3-(5-ethyl-2-methoxyphenyl)-2,2-dimethylpropan-1-ol
CID 94258956
3-(2,4-dimethoxy-3-methylanilino)-2,2-dimethylpropan-1-ol
CID 115135137
5-ethyl-2-methoxy-N-(2-methoxyethyl)aniline
CID 98783313
2-(5-ethyl-2-methoxyanilino)ethanethiol
CID 115223657
N-(2-chloroethyl)-5-ethyl-2-methoxyaniline
CID 115214591
3-(5-chloro-2,4-dimethoxyanilino)-2,2-dimethylpropan-1-ol
CID 81413769
3-(5-chloro-2-methoxy-4-methylanilino)-2,2-dimethylpropan-1-ol
CID 115135121
N-(5-ethyl-2-methoxyphenyl)propanamide
CID 110777230
N'-(5-ethyl-2-methoxyphenyl)-2-methylpropane-1,3-diamine
CID 115198252
5-(5-ethyl-2-methoxyanilino)pentanoic acid
CID 115218873

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-2-methoxyanilino)-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-(5-ethyl-2-methoxyanilino)-2,2-dimethylpropan-1-ol (CID 115135120) is 3-(5-ethyl-2-methoxyanilino)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-(5-ethyl-2-methoxyanilino)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-(5-ethyl-2-methoxyanilino)-2,2-dimethylpropan-1-ol is CCc1ccc(OC)c(NCC(C)(C)CO)c1.
What is the InChIKey of 3-(5-ethyl-2-methoxyanilino)-2,2-dimethylpropan-1-ol?
The InChIKey is NMOILYNPBYPEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-5-11-6-7-13(17-4)12(8-11)15-9-14(2,3)10-16/h6-8,15-16H,5,9-10H2,1-4H3.
What are the key properties of 3-(5-ethyl-2-methoxyanilino)-2,2-dimethylpropan-1-ol?
3-(5-ethyl-2-methoxyanilino)-2,2-dimethylpropan-1-ol has a molecular weight of 237.34 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-2-methoxyanilino)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 115135120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).