1-[(2,5-dimethoxyphenyl)methylamino]-3,3-dimethylbutan-2-ol

C15H25NO3 — CID 111119235

IUPAC1-[(2,5-dimethoxyphenyl)methylamino]-3,3-dimethylbutan-2-ol
SMILESCOc1ccc(OC)c(CNCC(O)C(C)(C)C)c1
InChIInChI=1S/C15H25NO3/c1-15(2,3)14(17)10-16-9-11-8-12(18-4)6-7-13(11)19-5/h6-8,14,16-17H,9-10H2,1-5H3
InChIKeyIVBZSRHXPAFAFR-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.20
Rot. Bonds6

About 1-[(2,5-dimethoxyphenyl)methylamino]-3,3-dimethylbutan-2-ol

1-[(2,5-dimethoxyphenyl)methylamino]-3,3-dimethylbutan-2-ol (PubChem CID 111119235) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[(2,5-dimethoxyphenyl)methylamino]-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-[(2,5-dimethoxyphenyl)methylamino]-3,3-dimethylbutan-2-ol
PubChem CID111119235
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-[(2,5-dimethoxyphenyl)methylamino]-3,3-dimethylbutan-2-ol
SMILESCOc1ccc(OC)c(CNCC(O)C(C)(C)C)c1
InChIInChI=1S/C15H25NO3/c1-15(2,3)14(17)10-16-9-11-8-12(18-4)6-7-13(11)19-5/h6-8,14,16-17H,9-10H2,1-5H3
InChIKeyIVBZSRHXPAFAFR-UHFFFAOYSA-N
XLogP2.20
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-bromo-2-methoxyphenyl)methylamino]-3,3-dimethylbutan-2-ol
CID 111119237
(1R)-1-(2,5-dimethoxyphenyl)-2-[(2,5-dimethoxyphenyl)methylamino]ethanol
CID 94809006
1-[(2,5-dimethoxyphenyl)methylamino]pentan-2-ol
CID 111118852
N'-[(2,5-dimethoxyphenyl)methyl]-2,2-dimethylpropane-1,3-diamine
CID 115199991
2-[[(2,5-dimethoxyphenyl)methylamino]methyl]-3-methylbutanenitrile
CID 115254449
tert-butyl N-[(2S)-1-[(2,5-dimethoxyphenyl)methylamino]-3-methylbutan-2-yl]carbamate
CID 95770355
2-[(2,5-dimethoxyphenyl)methylamino]-1-(furan-2-yl)ethanol
CID 110888253
N-[(2,5-dimethoxyphenyl)methyl]-3,3-dimethylbutan-2-amine
CID 115623243
1-[(2,5-dimethoxyphenyl)methylamino]propan-2-yl acetate
CID 82532880
1-N-[(2,5-dimethoxyphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222214
1-[(3-bromo-4-methoxyphenyl)methylamino]-3,3-dimethylbutan-2-ol
CID 111119209
2-[(2,5-dimethoxyphenyl)methylamino]acetic acid
CID 43135095

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethoxyphenyl)methylamino]-3,3-dimethylbutan-2-ol?
The IUPAC name of 1-[(2,5-dimethoxyphenyl)methylamino]-3,3-dimethylbutan-2-ol (CID 111119235) is 1-[(2,5-dimethoxyphenyl)methylamino]-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-[(2,5-dimethoxyphenyl)methylamino]-3,3-dimethylbutan-2-ol?
The canonical SMILES for 1-[(2,5-dimethoxyphenyl)methylamino]-3,3-dimethylbutan-2-ol is COc1ccc(OC)c(CNCC(O)C(C)(C)C)c1.
What is the InChIKey of 1-[(2,5-dimethoxyphenyl)methylamino]-3,3-dimethylbutan-2-ol?
The InChIKey is IVBZSRHXPAFAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-15(2,3)14(17)10-16-9-11-8-12(18-4)6-7-13(11)19-5/h6-8,14,16-17H,9-10H2,1-5H3.
What are the key properties of 1-[(2,5-dimethoxyphenyl)methylamino]-3,3-dimethylbutan-2-ol?
1-[(2,5-dimethoxyphenyl)methylamino]-3,3-dimethylbutan-2-ol has a molecular weight of 267.37 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethoxyphenyl)methylamino]-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 111119235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).