1-[4-(aminomethyl)-2,6-dimethylphenoxy]-2,3-dimethylbutan-2-ol

C15H25NO2 — CID 114491500

IUPAC1-[4-(aminomethyl)-2,6-dimethylphenoxy]-2,3-dimethylbutan-2-ol
SMILESCc1cc(CN)cc(C)c1OCC(C)(O)C(C)C
InChIInChI=1S/C15H25NO2/c1-10(2)15(5,17)9-18-14-11(3)6-13(8-16)7-12(14)4/h6-7,10,17H,8-9,16H2,1-5H3
InChIKeyQQIHOSUJRVOUPV-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.55
Rot. Bonds5

About 1-[4-(aminomethyl)-2,6-dimethylphenoxy]-2,3-dimethylbutan-2-ol

1-[4-(aminomethyl)-2,6-dimethylphenoxy]-2,3-dimethylbutan-2-ol (PubChem CID 114491500) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-2,6-dimethylphenoxy]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-[4-(aminomethyl)-2,6-dimethylphenoxy]-2,3-dimethylbutan-2-ol
PubChem CID114491500
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-[4-(aminomethyl)-2,6-dimethylphenoxy]-2,3-dimethylbutan-2-ol
SMILESCc1cc(CN)cc(C)c1OCC(C)(O)C(C)C
InChIInChI=1S/C15H25NO2/c1-10(2)15(5,17)9-18-14-11(3)6-13(8-16)7-12(14)4/h6-7,10,17H,8-9,16H2,1-5H3
InChIKeyQQIHOSUJRVOUPV-UHFFFAOYSA-N
XLogP2.55
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-2,3-dimethylbutan-2-ol
CID 114491498
[3,5-dimethyl-4-[2-(2-methylpropoxy)ethoxy]phenyl]methanamine
CID 106449258
1-[4-(aminomethyl)-2,6-dibromophenoxy]-2-methylpropan-2-ol
CID 107741378
1-[4-(ethylaminomethyl)-2,6-difluorophenoxy]-2,3-dimethylbutan-2-ol
CID 114492190
(4-methoxy-3-methyl-5-propan-2-ylphenyl)methanamine
CID 84665068
[3,5-dimethyl-4-(3-methylbut-3-enoxy)phenyl]methanamine
CID 114471375
4-(2-hydroxy-2-methylpropoxy)-3,5-dimethylbenzaldehyde
CID 60884438
[3,5-dimethyl-4-(6-propan-2-ylpyrimidin-4-yl)oxyphenyl]methanamine
CID 65471579
[4-[(5-tert-butyl-2-pyridinyl)oxy]-3,5-dimethylphenyl]methanamine
CID 107875396
2,3-dimethyl-1-phenoxybutan-2-ol
CID 114447731
1-[2,6-difluoro-4-(propylaminomethyl)phenoxy]-2,3-dimethylbutan-2-ol
CID 114492193
[4-(cyclopentylmethoxy)-3,5-dimethylphenyl]methanamine
CID 61344792

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-2,6-dimethylphenoxy]-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-[4-(aminomethyl)-2,6-dimethylphenoxy]-2,3-dimethylbutan-2-ol (CID 114491500) is 1-[4-(aminomethyl)-2,6-dimethylphenoxy]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-[4-(aminomethyl)-2,6-dimethylphenoxy]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-[4-(aminomethyl)-2,6-dimethylphenoxy]-2,3-dimethylbutan-2-ol is Cc1cc(CN)cc(C)c1OCC(C)(O)C(C)C.
What is the InChIKey of 1-[4-(aminomethyl)-2,6-dimethylphenoxy]-2,3-dimethylbutan-2-ol?
The InChIKey is QQIHOSUJRVOUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-10(2)15(5,17)9-18-14-11(3)6-13(8-16)7-12(14)4/h6-7,10,17H,8-9,16H2,1-5H3.
What are the key properties of 1-[4-(aminomethyl)-2,6-dimethylphenoxy]-2,3-dimethylbutan-2-ol?
1-[4-(aminomethyl)-2,6-dimethylphenoxy]-2,3-dimethylbutan-2-ol has a molecular weight of 251.37 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-2,6-dimethylphenoxy]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 114491500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).