4-(4-methoxy-N-methylanilino)-3,3-dimethylbutan-2-ol

C14H23NO2 — CID 66453906

IUPAC4-(4-methoxy-N-methylanilino)-3,3-dimethylbutan-2-ol
SMILESCOc1ccc(N(C)CC(C)(C)C(C)O)cc1
InChIInChI=1S/C14H23NO2/c1-11(16)14(2,3)10-15(4)12-6-8-13(17-5)9-7-12/h6-9,11,16H,10H2,1-5H3
InChIKeySUDOLQUQDJVGLU-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.54
Rot. Bonds5

About 4-(4-methoxy-N-methylanilino)-3,3-dimethylbutan-2-ol

4-(4-methoxy-N-methylanilino)-3,3-dimethylbutan-2-ol (PubChem CID 66453906) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 4-(4-methoxy-N-methylanilino)-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name4-(4-methoxy-N-methylanilino)-3,3-dimethylbutan-2-ol
PubChem CID66453906
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name4-(4-methoxy-N-methylanilino)-3,3-dimethylbutan-2-ol
SMILESCOc1ccc(N(C)CC(C)(C)C(C)O)cc1
InChIInChI=1S/C14H23NO2/c1-11(16)14(2,3)10-15(4)12-6-8-13(17-5)9-7-12/h6-9,11,16H,10H2,1-5H3
InChIKeySUDOLQUQDJVGLU-UHFFFAOYSA-N
XLogP2.54
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
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

4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 115257725
2-ethyl-N-(4-methoxyphenyl)-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 63493334
1-methoxy-3-(4-methoxy-N-methylanilino)propan-2-ol
CID 3725441
N-(2,2-dimethoxyethyl)-4-methoxy-N-methylaniline
CID 66224043
N-(4-methoxyphenyl)-N,2,2-trimethyl-N'-propylpropane-1,3-diamine
CID 62258901
1-N-(3-methoxyphenyl)-1-N,2,2-trimethylbutane-1,3-diamine
CID 66454499
N-(4-methoxyphenyl)-N,N',2-trimethyl-2-propylpropane-1,3-diamine
CID 62260445
4-(4-methoxy-N-methylanilino)-2-methylbutanoic acid
CID 115220604
(1S)-1-[5-[(4-methoxyphenyl)methyl-methylamino]-2-pyridinyl]ethanol
CID 83131957
bis[4-(4-methoxy-N-methylanilino)phenyl]methanol
CID 139653192
N-butan-2-yl-4-methoxy-N-methylaniline
CID 154139532
1-amino-5-(4-methoxy-N-methylanilino)-2-methylpentan-2-ol
CID 64821862

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-N-methylanilino)-3,3-dimethylbutan-2-ol?
The IUPAC name of 4-(4-methoxy-N-methylanilino)-3,3-dimethylbutan-2-ol (CID 66453906) is 4-(4-methoxy-N-methylanilino)-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 4-(4-methoxy-N-methylanilino)-3,3-dimethylbutan-2-ol?
The canonical SMILES for 4-(4-methoxy-N-methylanilino)-3,3-dimethylbutan-2-ol is COc1ccc(N(C)CC(C)(C)C(C)O)cc1.
What is the InChIKey of 4-(4-methoxy-N-methylanilino)-3,3-dimethylbutan-2-ol?
The InChIKey is SUDOLQUQDJVGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11(16)14(2,3)10-15(4)12-6-8-13(17-5)9-7-12/h6-9,11,16H,10H2,1-5H3.
What are the key properties of 4-(4-methoxy-N-methylanilino)-3,3-dimethylbutan-2-ol?
4-(4-methoxy-N-methylanilino)-3,3-dimethylbutan-2-ol has a molecular weight of 237.34 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-N-methylanilino)-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 66453906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).