2-[[[2-(3,4-dimethylphenyl)-2-methylpropyl]amino]methyl]butan-1-ol

C17H29NO — CID 115251143

IUPAC2-[[[2-(3,4-dimethylphenyl)-2-methylpropyl]amino]methyl]butan-1-ol
SMILESCCC(CO)CNCC(C)(C)c1ccc(C)c(C)c1
InChIInChI=1S/C17H29NO/c1-6-15(11-19)10-18-12-17(4,5)16-8-7-13(2)14(3)9-16/h7-9,15,18-19H,6,10-12H2,1-5H3
InChIKeyLKMCAFMEYCQFPV-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.19
Rot. Bonds7

About 2-[[[2-(3,4-dimethylphenyl)-2-methylpropyl]amino]methyl]butan-1-ol

2-[[[2-(3,4-dimethylphenyl)-2-methylpropyl]amino]methyl]butan-1-ol (PubChem CID 115251143) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 2-[[[2-(3,4-dimethylphenyl)-2-methylpropyl]amino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-[[[2-(3,4-dimethylphenyl)-2-methylpropyl]amino]methyl]butan-1-ol
PubChem CID115251143
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name2-[[[2-(3,4-dimethylphenyl)-2-methylpropyl]amino]methyl]butan-1-ol
SMILESCCC(CO)CNCC(C)(C)c1ccc(C)c(C)c1
InChIInChI=1S/C17H29NO/c1-6-15(11-19)10-18-12-17(4,5)16-8-7-13(2)14(3)9-16/h7-9,15,18-19H,6,10-12H2,1-5H3
InChIKeyLKMCAFMEYCQFPV-UHFFFAOYSA-N
XLogP3.19
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]amino]methyl]butan-1-ol
CID 115251149
2-[[[2-(4-bromophenyl)-2-methylpropyl]amino]methyl]butan-1-ol
CID 115251147
2-[[(3,4-dimethylphenyl)methylamino]methyl]butan-1-ol
CID 115250742
N-(chloromethyl)-2-(3,4-dimethylphenyl)-2-methylpropan-1-amine
CID 115263613
N'-[2-(3,4-dimethylphenyl)-2-methylpropyl]-N-methylpropane-1,3-diamine
CID 115198160
1-N-[2-(3,4-dimethylphenyl)-2-methylpropyl]-3-methylbutane-1,3-diamine
CID 115200923
4-[[2-(3,4-dimethylphenyl)-2-methylpropyl]amino]butanenitrile
CID 115232107
N'-[2-(3,4-dimethylphenyl)-2-methylpropyl]butane-1,4-diamine
CID 115201587
3-[[[2-(3,4-dimethylphenyl)-2-methylpropyl]amino]methyl]cyclobutan-1-amine
CID 115214407
3-[[2-(3,4-difluorophenyl)-2-methylpropyl]amino]propane-1,2-diol
CID 115122499
N-[2-(3,4-dimethylphenyl)-2-methylpropyl]-2-(ethylamino)acetamide
CID 115158146
2-ethyl-N'-[2-(4-methoxyphenyl)-2-methylpropyl]propane-1,3-diamine
CID 115251783

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(3,4-dimethylphenyl)-2-methylpropyl]amino]methyl]butan-1-ol?
The IUPAC name of 2-[[[2-(3,4-dimethylphenyl)-2-methylpropyl]amino]methyl]butan-1-ol (CID 115251143) is 2-[[[2-(3,4-dimethylphenyl)-2-methylpropyl]amino]methyl]butan-1-ol.
What is the SMILES notation for 2-[[[2-(3,4-dimethylphenyl)-2-methylpropyl]amino]methyl]butan-1-ol?
The canonical SMILES for 2-[[[2-(3,4-dimethylphenyl)-2-methylpropyl]amino]methyl]butan-1-ol is CCC(CO)CNCC(C)(C)c1ccc(C)c(C)c1.
What is the InChIKey of 2-[[[2-(3,4-dimethylphenyl)-2-methylpropyl]amino]methyl]butan-1-ol?
The InChIKey is LKMCAFMEYCQFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-6-15(11-19)10-18-12-17(4,5)16-8-7-13(2)14(3)9-16/h7-9,15,18-19H,6,10-12H2,1-5H3.
What are the key properties of 2-[[[2-(3,4-dimethylphenyl)-2-methylpropyl]amino]methyl]butan-1-ol?
2-[[[2-(3,4-dimethylphenyl)-2-methylpropyl]amino]methyl]butan-1-ol has a molecular weight of 263.42 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(3,4-dimethylphenyl)-2-methylpropyl]amino]methyl]butan-1-ol is sourced from PubChem (CID 115251143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).