3-(3-methoxy-4-methylanilino)-2,2-dimethylpropan-1-ol

C13H21NO2 — CID 58748362

IUPAC3-(3-methoxy-4-methylanilino)-2,2-dimethylpropan-1-ol
SMILESCOc1cc(NCC(C)(C)CO)ccc1C
InChIInChI=1S/C13H21NO2/c1-10-5-6-11(7-12(10)16-4)14-8-13(2,3)9-15/h5-7,14-15H,8-9H2,1-4H3
InChIKeyNLJABLDNWZHHRS-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.43
Rot. Bonds5

About 3-(3-methoxy-4-methylanilino)-2,2-dimethylpropan-1-ol

3-(3-methoxy-4-methylanilino)-2,2-dimethylpropan-1-ol (PubChem CID 58748362) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-(3-methoxy-4-methylanilino)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-(3-methoxy-4-methylanilino)-2,2-dimethylpropan-1-ol
PubChem CID58748362
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name3-(3-methoxy-4-methylanilino)-2,2-dimethylpropan-1-ol
SMILESCOc1cc(NCC(C)(C)CO)ccc1C
InChIInChI=1S/C13H21NO2/c1-10-5-6-11(7-12(10)16-4)14-8-13(2,3)9-15/h5-7,14-15H,8-9H2,1-4H3
InChIKeyNLJABLDNWZHHRS-UHFFFAOYSA-N
XLogP2.43
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chloro-4-methoxyanilino)-2,2-dimethylpropan-1-ol
CID 80504258
3-(3-amino-4-methylanilino)-2,2-dimethylpropan-1-ol
CID 115358124
2,2-dimethyl-3-[(6-methylnaphthalen-2-yl)amino]propan-1-ol
CID 115135171
4-[(3-hydroxy-2,2-dimethylpropyl)amino]-2-methylbenzoic acid
CID 115363246
3-(5-chloro-2-methoxy-4-methylanilino)-2,2-dimethylpropan-1-ol
CID 115135121
3-(4-bromo-3,5-dimethylanilino)-2,2-dimethylpropan-1-ol
CID 107571895
ethane;2-(4-methoxy-3-methylanilino)ethanol
CID 142353980
3-(2,4-dimethoxy-3-methylanilino)-2,2-dimethylpropan-1-ol
CID 115135137
N-[(benzhydrylideneamino)methyl]-3-methoxy-4-methylaniline
CID 59915661
N-[3-[(3-hydroxy-2,2-dimethylpropyl)amino]-4-methylphenyl]acetamide
CID 81412241
3-(5-ethyl-2-methoxyanilino)-2,2-dimethylpropan-1-ol
CID 115135120
3-[(6-bromonaphthalen-2-yl)amino]-2,2-dimethylpropan-1-ol
CID 81411268

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-4-methylanilino)-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-(3-methoxy-4-methylanilino)-2,2-dimethylpropan-1-ol (CID 58748362) is 3-(3-methoxy-4-methylanilino)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-(3-methoxy-4-methylanilino)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-(3-methoxy-4-methylanilino)-2,2-dimethylpropan-1-ol is COc1cc(NCC(C)(C)CO)ccc1C.
What is the InChIKey of 3-(3-methoxy-4-methylanilino)-2,2-dimethylpropan-1-ol?
The InChIKey is NLJABLDNWZHHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10-5-6-11(7-12(10)16-4)14-8-13(2,3)9-15/h5-7,14-15H,8-9H2,1-4H3.
What are the key properties of 3-(3-methoxy-4-methylanilino)-2,2-dimethylpropan-1-ol?
3-(3-methoxy-4-methylanilino)-2,2-dimethylpropan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-4-methylanilino)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 58748362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).