2-amino-3-[(4-tert-butyl-2,6-dimethylphenyl)methylamino]propan-1-ol

C16H28N2O — CID 115120572

IUPAC2-amino-3-[(4-tert-butyl-2,6-dimethylphenyl)methylamino]propan-1-ol
SMILESCc1cc(C(C)(C)C)cc(C)c1CNCC(N)CO
InChIInChI=1S/C16H28N2O/c1-11-6-13(16(3,4)5)7-12(2)15(11)9-18-8-14(17)10-19/h6-7,14,18-19H,8-10,17H2,1-5H3
InChIKeyVKQKRABIUSIKJA-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.01
Rot. Bonds5

About 2-amino-3-[(4-tert-butyl-2,6-dimethylphenyl)methylamino]propan-1-ol

2-amino-3-[(4-tert-butyl-2,6-dimethylphenyl)methylamino]propan-1-ol (PubChem CID 115120572) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-amino-3-[(4-tert-butyl-2,6-dimethylphenyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2-amino-3-[(4-tert-butyl-2,6-dimethylphenyl)methylamino]propan-1-ol
PubChem CID115120572
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-amino-3-[(4-tert-butyl-2,6-dimethylphenyl)methylamino]propan-1-ol
SMILESCc1cc(C(C)(C)C)cc(C)c1CNCC(N)CO
InChIInChI=1S/C16H28N2O/c1-11-6-13(16(3,4)5)7-12(2)15(11)9-18-8-14(17)10-19/h6-7,14,18-19H,8-10,17H2,1-5H3
InChIKeyVKQKRABIUSIKJA-UHFFFAOYSA-N
XLogP2.01
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-[2-(4-tert-butyl-2-methylphenyl)ethylamino]propan-1-ol
CID 115120856
1-[(4-tert-butyl-2,6-dimethylphenyl)methylamino]-2-methylpropan-2-ol
CID 96666593
2-amino-3-[(2-methoxy-4,5-dimethylphenyl)methylamino]propan-1-ol
CID 115120540
2-amino-3-[[2-(2,5-dimethylphenyl)-2-methylpropyl]amino]propan-1-ol
CID 115121019
2-amino-N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]propanamide
CID 115152378
3-[(4-tert-butyl-2,6-dimethylphenyl)methylamino]propanenitrile
CID 115230884
2-amino-3-[(2-methoxy-3,5-dimethylphenyl)methylamino]propan-1-ol
CID 115120568
N'-[(4-tert-butyl-2,6-dimethylphenyl)methyl]oxamide
CID 115191842
N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-3-hydroxypropanamide
CID 115139038
2-amino-3-(4-tert-butyl-2,6-dimethylphenyl)propanehydrazide
CID 116848629
2-amino-3-(4-methoxy-3,5-dimethylanilino)propan-1-ol
CID 115120343
2-amino-3-[(4-methylsulfanylphenyl)methylamino]propan-1-ol
CID 115120590

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(4-tert-butyl-2,6-dimethylphenyl)methylamino]propan-1-ol?
The IUPAC name of 2-amino-3-[(4-tert-butyl-2,6-dimethylphenyl)methylamino]propan-1-ol (CID 115120572) is 2-amino-3-[(4-tert-butyl-2,6-dimethylphenyl)methylamino]propan-1-ol.
What is the SMILES notation for 2-amino-3-[(4-tert-butyl-2,6-dimethylphenyl)methylamino]propan-1-ol?
The canonical SMILES for 2-amino-3-[(4-tert-butyl-2,6-dimethylphenyl)methylamino]propan-1-ol is Cc1cc(C(C)(C)C)cc(C)c1CNCC(N)CO.
What is the InChIKey of 2-amino-3-[(4-tert-butyl-2,6-dimethylphenyl)methylamino]propan-1-ol?
The InChIKey is VKQKRABIUSIKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-11-6-13(16(3,4)5)7-12(2)15(11)9-18-8-14(17)10-19/h6-7,14,18-19H,8-10,17H2,1-5H3.
What are the key properties of 2-amino-3-[(4-tert-butyl-2,6-dimethylphenyl)methylamino]propan-1-ol?
2-amino-3-[(4-tert-butyl-2,6-dimethylphenyl)methylamino]propan-1-ol has a molecular weight of 264.41 g/mol, XLogP of 2.01, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(4-tert-butyl-2,6-dimethylphenyl)methylamino]propan-1-ol is sourced from PubChem (CID 115120572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).