3-(N-ethyl-3-methylanilino)-2,2-dimethylpropan-1-ol

C14H23NO — CID 62272248

IUPAC3-(N-ethyl-3-methylanilino)-2,2-dimethylpropan-1-ol
SMILESCCN(CC(C)(C)CO)c1cccc(C)c1
InChIInChI=1S/C14H23NO/c1-5-15(10-14(3,4)11-16)13-8-6-7-12(2)9-13/h6-9,16H,5,10-11H2,1-4H3
InChIKeySWHUHKVXMBXIAB-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.84
Rot. Bonds5

About 3-(N-ethyl-3-methylanilino)-2,2-dimethylpropan-1-ol

3-(N-ethyl-3-methylanilino)-2,2-dimethylpropan-1-ol (PubChem CID 62272248) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-(N-ethyl-3-methylanilino)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-(N-ethyl-3-methylanilino)-2,2-dimethylpropan-1-ol
PubChem CID62272248
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-(N-ethyl-3-methylanilino)-2,2-dimethylpropan-1-ol
SMILESCCN(CC(C)(C)CO)c1cccc(C)c1
InChIInChI=1S/C14H23NO/c1-5-15(10-14(3,4)11-16)13-8-6-7-12(2)9-13/h6-9,16H,5,10-11H2,1-4H3
InChIKeySWHUHKVXMBXIAB-UHFFFAOYSA-N
XLogP2.84
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(N-ethyl-3-methylanilino)-2-methylpropan-2-ol
CID 61101851
2-(cyclopropylamino)-3-(N-ethyl-3-methylanilino)-2-methylpropan-1-ol
CID 64826466
1-(N-ethyl-3-methylanilino)-2-phenylpropan-2-ol
CID 62374821
1-N-ethyl-2-methyl-1-N-(3-methylphenyl)pentane-1,2-diamine
CID 61077135
ethane;2-(N-ethyl-3-methylanilino)ethanol
CID 142945476
2-(N-ethylanilino)ethanol;2-(N-ethyl-3-methylanilino)ethanol
CID 67646691
N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
CID 57172568
2-cyclopropyl-3-(N-ethyl-3-methylanilino)-2-(propylamino)propan-1-ol
CID 64825667
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

Frequently Asked Questions

What is the IUPAC name of 3-(N-ethyl-3-methylanilino)-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-(N-ethyl-3-methylanilino)-2,2-dimethylpropan-1-ol (CID 62272248) is 3-(N-ethyl-3-methylanilino)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-(N-ethyl-3-methylanilino)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-(N-ethyl-3-methylanilino)-2,2-dimethylpropan-1-ol is CCN(CC(C)(C)CO)c1cccc(C)c1.
What is the InChIKey of 3-(N-ethyl-3-methylanilino)-2,2-dimethylpropan-1-ol?
The InChIKey is SWHUHKVXMBXIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-15(10-14(3,4)11-16)13-8-6-7-12(2)9-13/h6-9,16H,5,10-11H2,1-4H3.
What are the key properties of 3-(N-ethyl-3-methylanilino)-2,2-dimethylpropan-1-ol?
3-(N-ethyl-3-methylanilino)-2,2-dimethylpropan-1-ol has a molecular weight of 221.34 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-ethyl-3-methylanilino)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 62272248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).