1-(N-ethyl-3-methylanilino)-2-methylpropan-2-ol

C13H21NO — CID 61101851

IUPAC1-(N-ethyl-3-methylanilino)-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1cccc(C)c1
InChIInChI=1S/C13H21NO/c1-5-14(10-13(3,4)15)12-8-6-7-11(2)9-12/h6-9,15H,5,10H2,1-4H3
InChIKeyCTRMFEXKAZHKIL-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.59
Rot. Bonds4

About 1-(N-ethyl-3-methylanilino)-2-methylpropan-2-ol

1-(N-ethyl-3-methylanilino)-2-methylpropan-2-ol (PubChem CID 61101851) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(N-ethyl-3-methylanilino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(N-ethyl-3-methylanilino)-2-methylpropan-2-ol
PubChem CID61101851
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(N-ethyl-3-methylanilino)-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1cccc(C)c1
InChIInChI=1S/C13H21NO/c1-5-14(10-13(3,4)15)12-8-6-7-11(2)9-12/h6-9,15H,5,10H2,1-4H3
InChIKeyCTRMFEXKAZHKIL-UHFFFAOYSA-N
XLogP2.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(N-ethyl-3-methylanilino)-2-phenylpropan-2-ol
CID 62374821
3-(N-ethyl-3-methylanilino)-2,2-dimethylpropan-1-ol
CID 62272248
1-N-ethyl-2-methyl-1-N-(3-methylphenyl)pentane-1,2-diamine
CID 61077135
2-(cyclopropylamino)-3-(N-ethyl-3-methylanilino)-2-methylpropan-1-ol
CID 64826466
N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
CID 57172568
ethane;2-(N-ethyl-3-methylanilino)ethanol
CID 142945476
1-(N-ethyl-3-methylanilino)-4,4-dimethylpentan-3-ol
CID 62623748
N-ethyl-N-[[4-[(N-ethyl-3-methylanilino)methyl]phenyl]methyl]-3-methylaniline
CID 23342282
N,N'-diethyl-N,N'-bis(3-methylphenyl)hexane-1,6-diamine
CID 91719494
2-amino-2-cyclopropyl-3-(N-ethyl-3-methylanilino)propanoic acid
CID 63911523
2-(N-ethylanilino)ethanol;2-(N-ethyl-3-methylanilino)ethanol
CID 67646691
4-[(N-ethyl-3-methylanilino)methyl]phenol
CID 82973646

Frequently Asked Questions

What is the IUPAC name of 1-(N-ethyl-3-methylanilino)-2-methylpropan-2-ol?
The IUPAC name of 1-(N-ethyl-3-methylanilino)-2-methylpropan-2-ol (CID 61101851) is 1-(N-ethyl-3-methylanilino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(N-ethyl-3-methylanilino)-2-methylpropan-2-ol?
The canonical SMILES for 1-(N-ethyl-3-methylanilino)-2-methylpropan-2-ol is CCN(CC(C)(C)O)c1cccc(C)c1.
What is the InChIKey of 1-(N-ethyl-3-methylanilino)-2-methylpropan-2-ol?
The InChIKey is CTRMFEXKAZHKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-5-14(10-13(3,4)15)12-8-6-7-11(2)9-12/h6-9,15H,5,10H2,1-4H3.
What are the key properties of 1-(N-ethyl-3-methylanilino)-2-methylpropan-2-ol?
1-(N-ethyl-3-methylanilino)-2-methylpropan-2-ol has a molecular weight of 207.32 g/mol, XLogP of 2.59, 4 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)-2-methylpropan-2-ol is sourced from PubChem (CID 61101851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).