3-amino-2-(N-ethyl-2-methylanilino)-4,4-dimethylpentan-1-ol

C16H28N2O — CID 114356505

IUPAC3-amino-2-(N-ethyl-2-methylanilino)-4,4-dimethylpentan-1-ol
SMILESCCN(c1ccccc1C)C(CO)C(N)C(C)(C)C
InChIInChI=1S/C16H28N2O/c1-6-18(13-10-8-7-9-12(13)2)14(11-19)15(17)16(3,4)5/h7-10,14-15,19H,6,11,17H2,1-5H3
InChIKeyYVYXJDASBGBVRK-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.56
Rot. Bonds5

About 3-amino-2-(N-ethyl-2-methylanilino)-4,4-dimethylpentan-1-ol

3-amino-2-(N-ethyl-2-methylanilino)-4,4-dimethylpentan-1-ol (PubChem CID 114356505) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 3-amino-2-(N-ethyl-2-methylanilino)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-amino-2-(N-ethyl-2-methylanilino)-4,4-dimethylpentan-1-ol
PubChem CID114356505
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name3-amino-2-(N-ethyl-2-methylanilino)-4,4-dimethylpentan-1-ol
SMILESCCN(c1ccccc1C)C(CO)C(N)C(C)(C)C
InChIInChI=1S/C16H28N2O/c1-6-18(13-10-8-7-9-12(13)2)14(11-19)15(17)16(3,4)5/h7-10,14-15,19H,6,11,17H2,1-5H3
InChIKeyYVYXJDASBGBVRK-UHFFFAOYSA-N
XLogP2.56
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-ethyl-2-methylanilino)-1-phenylbutan-1-ol
CID 63472847
(2R)-2-(N-ethyl-2-methylanilino)propanoic acid
CID 124509883
2-amino-4-(N-ethyl-2-methylanilino)-2-methylpentanenitrile
CID 64699137
4-(N-ethyl-2-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol
CID 64790376
2-N-ethyl-2-N-(2-methylphenyl)-4-phenylbutane-1,2-diamine
CID 60709793
3-amino-4,4-dimethyl-2-[methyl(pyridin-2-ylmethyl)amino]pentan-1-ol
CID 114356672
4-(N-ethyl-2-methylanilino)-2-methyl-2-(methylamino)pentanenitrile
CID 64698950
N,N-diethoxy-2-methylaniline
CID 57156953
2-(ethylamino)-4-(N-ethyl-2-methylanilino)-2-methylpentanenitrile
CID 64698769
1-(2,4-difluorophenyl)-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine
CID 43184725
(2S)-2-amino-N-ethyl-N-(2-methylphenyl)-3-phenylpropanamide
CID 61148945
1-[4-(dimethylamino)phenyl]-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine
CID 43822938

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(N-ethyl-2-methylanilino)-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-amino-2-(N-ethyl-2-methylanilino)-4,4-dimethylpentan-1-ol (CID 114356505) is 3-amino-2-(N-ethyl-2-methylanilino)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-amino-2-(N-ethyl-2-methylanilino)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-amino-2-(N-ethyl-2-methylanilino)-4,4-dimethylpentan-1-ol is CCN(c1ccccc1C)C(CO)C(N)C(C)(C)C.
What is the InChIKey of 3-amino-2-(N-ethyl-2-methylanilino)-4,4-dimethylpentan-1-ol?
The InChIKey is YVYXJDASBGBVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-6-18(13-10-8-7-9-12(13)2)14(11-19)15(17)16(3,4)5/h7-10,14-15,19H,6,11,17H2,1-5H3.
What are the key properties of 3-amino-2-(N-ethyl-2-methylanilino)-4,4-dimethylpentan-1-ol?
3-amino-2-(N-ethyl-2-methylanilino)-4,4-dimethylpentan-1-ol has a molecular weight of 264.41 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(N-ethyl-2-methylanilino)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 114356505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).