2-(N-ethyl-2-methylanilino)-1-phenylbutan-1-ol

C19H25NO — CID 63472847

IUPAC2-(N-ethyl-2-methylanilino)-1-phenylbutan-1-ol
SMILESCCC(C(O)c1ccccc1)N(CC)c1ccccc1C
InChIInChI=1S/C19H25NO/c1-4-17(19(21)16-12-7-6-8-13-16)20(5-2)18-14-10-9-11-15(18)3/h6-14,17,19,21H,4-5H2,1-3H3
InChIKeyOOQLLHDVSXMAIY-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.33
Rot. Bonds6

About 2-(N-ethyl-2-methylanilino)-1-phenylbutan-1-ol

2-(N-ethyl-2-methylanilino)-1-phenylbutan-1-ol (PubChem CID 63472847) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-(N-ethyl-2-methylanilino)-1-phenylbutan-1-ol.

Molecular Properties

Compound Name2-(N-ethyl-2-methylanilino)-1-phenylbutan-1-ol
PubChem CID63472847
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name2-(N-ethyl-2-methylanilino)-1-phenylbutan-1-ol
SMILESCCC(C(O)c1ccccc1)N(CC)c1ccccc1C
InChIInChI=1S/C19H25NO/c1-4-17(19(21)16-12-7-6-8-13-16)20(5-2)18-14-10-9-11-15(18)3/h6-14,17,19,21H,4-5H2,1-3H3
InChIKeyOOQLLHDVSXMAIY-UHFFFAOYSA-N
XLogP4.33
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(N-ethyl-2-methylanilino)propanoic acid
CID 124509883
3-amino-2-(N-ethyl-2-methylanilino)-4,4-dimethylpentan-1-ol
CID 114356505
2-[2-(dimethylamino)ethyl-methylamino]-1-phenylbutan-1-ol
CID 63700124
2-(dibutylamino)-1-phenylbutan-1-ol;hydrochloride
CID 138400764
N,N'-diethyl-N,N'-bis(2-methylphenyl)-2-phenylpropanediamide
CID 3396233
3-(2-methyl-N-pentan-3-ylanilino)propanoic acid
CID 65059233
2-N-ethyl-2-N-(2-methylphenyl)-4-phenylbutane-1,2-diamine
CID 60709793
2-[ethyl(methyl)amino]-1-phenylpropan-1-ol
CID 10734
(1R,2S)-2-(diethylaminomethyl)-1-phenylbutan-1-ol
CID 921494
1-[2-[butan-2-yl(ethyl)amino]phenyl]ethanol
CID 43510195
1-phenylpropan-1-ol;hydrate
CID 156782934
1-(3-bromophenyl)-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine
CID 43104509

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-2-methylanilino)-1-phenylbutan-1-ol?
The IUPAC name of 2-(N-ethyl-2-methylanilino)-1-phenylbutan-1-ol (CID 63472847) is 2-(N-ethyl-2-methylanilino)-1-phenylbutan-1-ol.
What is the SMILES notation for 2-(N-ethyl-2-methylanilino)-1-phenylbutan-1-ol?
The canonical SMILES for 2-(N-ethyl-2-methylanilino)-1-phenylbutan-1-ol is CCC(C(O)c1ccccc1)N(CC)c1ccccc1C.
What is the InChIKey of 2-(N-ethyl-2-methylanilino)-1-phenylbutan-1-ol?
The InChIKey is OOQLLHDVSXMAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-4-17(19(21)16-12-7-6-8-13-16)20(5-2)18-14-10-9-11-15(18)3/h6-14,17,19,21H,4-5H2,1-3H3.
What are the key properties of 2-(N-ethyl-2-methylanilino)-1-phenylbutan-1-ol?
2-(N-ethyl-2-methylanilino)-1-phenylbutan-1-ol has a molecular weight of 283.42 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-2-methylanilino)-1-phenylbutan-1-ol is sourced from PubChem (CID 63472847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).