2-methyl-2-[(2-methyl-4-propan-2-yloxyanilino)methyl]butan-1-ol

C16H27NO2 — CID 81418502

IUPAC2-methyl-2-[(2-methyl-4-propan-2-yloxyanilino)methyl]butan-1-ol
SMILESCCC(C)(CO)CNc1ccc(OC(C)C)cc1C
InChIInChI=1S/C16H27NO2/c1-6-16(5,11-18)10-17-15-8-7-14(9-13(15)4)19-12(2)3/h7-9,12,17-18H,6,10-11H2,1-5H3
InChIKeyQEMOTECZIRORAA-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.60
Rot. Bonds7

About 2-methyl-2-[(2-methyl-4-propan-2-yloxyanilino)methyl]butan-1-ol

2-methyl-2-[(2-methyl-4-propan-2-yloxyanilino)methyl]butan-1-ol (PubChem CID 81418502) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-methyl-2-[(2-methyl-4-propan-2-yloxyanilino)methyl]butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[(2-methyl-4-propan-2-yloxyanilino)methyl]butan-1-ol
PubChem CID81418502
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-methyl-2-[(2-methyl-4-propan-2-yloxyanilino)methyl]butan-1-ol
SMILESCCC(C)(CO)CNc1ccc(OC(C)C)cc1C
InChIInChI=1S/C16H27NO2/c1-6-16(5,11-18)10-17-15-8-7-14(9-13(15)4)19-12(2)3/h7-9,12,17-18H,6,10-11H2,1-5H3
InChIKeyQEMOTECZIRORAA-UHFFFAOYSA-N
XLogP3.60
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(3,3-dimethylbutyl)-2-methyl-4-propan-2-yloxyaniline
CID 63450883
2-(ethylamino)-2-methyl-N-(2-methyl-4-propan-2-yloxyphenyl)propanamide
CID 62836240
2-[4-[(2-methyl-4-propan-2-yloxyanilino)methyl]pyrazol-1-yl]ethanol
CID 64829407
N-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-4-propan-2-yloxyaniline
CID 66411969
[1-[(2-methyl-4-propan-2-yloxyanilino)methyl]cyclohexyl]methanol
CID 81399768
3-chloro-2-methyl-N-(2-methyl-4-propan-2-yloxyphenyl)propanamide
CID 62727955
2-methyl-4-propan-2-yloxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 62474227
2-methyl-N-(oxolan-2-ylmethyl)-4-propan-2-yloxyaniline
CID 82836058
2-methyl-N-(piperidin-2-ylmethyl)-4-propan-2-yloxyaniline
CID 106633661
(2R)-N-[(2R)-butan-2-yl]-2-[(2-methyl-4-propan-2-yloxyphenyl)carbamoylamino]propanamide
CID 94962141
2-methyl-N-[(3-methyltriazol-4-yl)methyl]-4-propan-2-yloxyaniline
CID 115682395
N-hexan-2-yl-2-methyl-4-propan-2-yloxyaniline
CID 63451236

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-methyl-4-propan-2-yloxyanilino)methyl]butan-1-ol?
The IUPAC name of 2-methyl-2-[(2-methyl-4-propan-2-yloxyanilino)methyl]butan-1-ol (CID 81418502) is 2-methyl-2-[(2-methyl-4-propan-2-yloxyanilino)methyl]butan-1-ol.
What is the SMILES notation for 2-methyl-2-[(2-methyl-4-propan-2-yloxyanilino)methyl]butan-1-ol?
The canonical SMILES for 2-methyl-2-[(2-methyl-4-propan-2-yloxyanilino)methyl]butan-1-ol is CCC(C)(CO)CNc1ccc(OC(C)C)cc1C.
What is the InChIKey of 2-methyl-2-[(2-methyl-4-propan-2-yloxyanilino)methyl]butan-1-ol?
The InChIKey is QEMOTECZIRORAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-6-16(5,11-18)10-17-15-8-7-14(9-13(15)4)19-12(2)3/h7-9,12,17-18H,6,10-11H2,1-5H3.
What are the key properties of 2-methyl-2-[(2-methyl-4-propan-2-yloxyanilino)methyl]butan-1-ol?
2-methyl-2-[(2-methyl-4-propan-2-yloxyanilino)methyl]butan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-methyl-4-propan-2-yloxyanilino)methyl]butan-1-ol is sourced from PubChem (CID 81418502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).