2-ethyl-2-[[1-(4-ethylphenyl)propylamino]methyl]butan-1-ol

C18H31NO — CID 106250977

IUPAC2-ethyl-2-[[1-(4-ethylphenyl)propylamino]methyl]butan-1-ol
SMILESCCc1ccc(C(CC)NCC(CC)(CC)CO)cc1
InChIInChI=1S/C18H31NO/c1-5-15-9-11-16(12-10-15)17(6-2)19-13-18(7-3,8-4)14-20/h9-12,17,19-20H,5-8,13-14H2,1-4H3
InChIKeyZYMYODIBAZBJBR-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.09
Rot. Bonds9

About 2-ethyl-2-[[1-(4-ethylphenyl)propylamino]methyl]butan-1-ol

2-ethyl-2-[[1-(4-ethylphenyl)propylamino]methyl]butan-1-ol (PubChem CID 106250977) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 2-ethyl-2-[[1-(4-ethylphenyl)propylamino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[1-(4-ethylphenyl)propylamino]methyl]butan-1-ol
PubChem CID106250977
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name2-ethyl-2-[[1-(4-ethylphenyl)propylamino]methyl]butan-1-ol
SMILESCCc1ccc(C(CC)NCC(CC)(CC)CO)cc1
InChIInChI=1S/C18H31NO/c1-5-15-9-11-16(12-10-15)17(6-2)19-13-18(7-3,8-4)14-20/h9-12,17,19-20H,5-8,13-14H2,1-4H3
InChIKeyZYMYODIBAZBJBR-UHFFFAOYSA-N
XLogP4.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(4-ethylphenyl)propylamino]-3,3-dimethylbutan-1-ol
CID 103787569
3-[1-(4-ethylphenyl)propylamino]-N,2,2-trimethylpropanamide
CID 103917285
4-[1-[(4-ethylphenyl)methylamino]propyl]phenol
CID 106899400
3-[1-(4-ethylphenyl)propylamino]-4,4-dimethylpentan-1-ol
CID 106348919
(2S)-2-[1-(4-ethylphenyl)propylamino]butan-1-ol
CID 104980386
2,2-dimethyl-3-[1-(4-methylphenyl)propylamino]propan-1-ol
CID 81411321
N-[1-(4-ethylphenyl)propyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 80526466
4-bromo-2-[1-[[2-ethyl-2-(hydroxymethyl)butyl]amino]propyl]phenol
CID 104925227
3-[1-(4-ethylphenyl)propylamino]propanoic acid
CID 43310130
3-[1-(4-chlorophenyl)propylamino]-2-methylpropane-1,2-diol
CID 66169648
N-[1-(4-ethylphenyl)propyl]butan-2-amine
CID 43309866
2-[[1-(3,4-dimethylphenyl)ethylamino]methyl]-2-ethylbutan-1-ol
CID 103904636

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[1-(4-ethylphenyl)propylamino]methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[1-(4-ethylphenyl)propylamino]methyl]butan-1-ol (CID 106250977) is 2-ethyl-2-[[1-(4-ethylphenyl)propylamino]methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[1-(4-ethylphenyl)propylamino]methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[1-(4-ethylphenyl)propylamino]methyl]butan-1-ol is CCc1ccc(C(CC)NCC(CC)(CC)CO)cc1.
What is the InChIKey of 2-ethyl-2-[[1-(4-ethylphenyl)propylamino]methyl]butan-1-ol?
The InChIKey is ZYMYODIBAZBJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-5-15-9-11-16(12-10-15)17(6-2)19-13-18(7-3,8-4)14-20/h9-12,17,19-20H,5-8,13-14H2,1-4H3.
What are the key properties of 2-ethyl-2-[[1-(4-ethylphenyl)propylamino]methyl]butan-1-ol?
2-ethyl-2-[[1-(4-ethylphenyl)propylamino]methyl]butan-1-ol has a molecular weight of 277.45 g/mol, XLogP of 4.09, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[1-(4-ethylphenyl)propylamino]methyl]butan-1-ol is sourced from PubChem (CID 106250977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).