1-[[2-amino-1-(2-methylphenyl)propyl]-methylamino]-2-methylpropan-2-ol

C15H26N2O — CID 79385263

IUPAC1-[[2-amino-1-(2-methylphenyl)propyl]-methylamino]-2-methylpropan-2-ol
SMILESCc1ccccc1C(C(C)N)N(C)CC(C)(C)O
InChIInChI=1S/C15H26N2O/c1-11-8-6-7-9-13(11)14(12(2)16)17(5)10-15(3,4)18/h6-9,12,14,18H,10,16H2,1-5H3
InChIKeyMDFJFMIYAKPLAP-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.09
Rot. Bonds5

About 1-[[2-amino-1-(2-methylphenyl)propyl]-methylamino]-2-methylpropan-2-ol

1-[[2-amino-1-(2-methylphenyl)propyl]-methylamino]-2-methylpropan-2-ol (PubChem CID 79385263) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-[[2-amino-1-(2-methylphenyl)propyl]-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[2-amino-1-(2-methylphenyl)propyl]-methylamino]-2-methylpropan-2-ol
PubChem CID79385263
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-[[2-amino-1-(2-methylphenyl)propyl]-methylamino]-2-methylpropan-2-ol
SMILESCc1ccccc1C(C(C)N)N(C)CC(C)(C)O
InChIInChI=1S/C15H26N2O/c1-11-8-6-7-9-13(11)14(12(2)16)17(5)10-15(3,4)18/h6-9,12,14,18H,10,16H2,1-5H3
InChIKeyMDFJFMIYAKPLAP-UHFFFAOYSA-N
XLogP2.09
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-amino-1-(2-bromophenyl)propyl]-methylamino]-2-methylpropan-2-ol
CID 79384269
1-N-methyl-1-(2-methylphenyl)-1-N-(2-methylsulfanylethyl)propane-1,2-diamine
CID 112657415
1-N-ethyl-1-(2-methylphenyl)-1-N-propan-2-ylpropane-1,2-diamine
CID 55018276
3-[[2-amino-1-(2-methylphenyl)propyl]-methylamino]propanenitrile
CID 55018083
1-[[2-amino-1-(furan-2-yl)propyl]-methylamino]-2-methylpropan-2-ol
CID 79384583
1-[[2-amino-1-(4-bromophenyl)propyl]-methylamino]-2-methylpropan-2-ol
CID 79384679
1-N-methyl-1-(2-methylphenyl)-1-N-pentan-2-ylpropane-1,2-diamine
CID 55018279
1-N-methyl-1-(2-methylphenyl)-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine
CID 55018087
1-[[2-amino-1-(2-chlorophenyl)butyl]-methylamino]-2-methylpropan-2-ol
CID 79384483
1-(2-methylphenyl)-1-N-(2-methylpropyl)-1-N-propan-2-ylpropane-1,2-diamine
CID 55018331
1-[1-(2-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62978499
1-[1-(2-fluorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62980625

Frequently Asked Questions

What is the IUPAC name of 1-[[2-amino-1-(2-methylphenyl)propyl]-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[2-amino-1-(2-methylphenyl)propyl]-methylamino]-2-methylpropan-2-ol (CID 79385263) is 1-[[2-amino-1-(2-methylphenyl)propyl]-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[2-amino-1-(2-methylphenyl)propyl]-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[2-amino-1-(2-methylphenyl)propyl]-methylamino]-2-methylpropan-2-ol is Cc1ccccc1C(C(C)N)N(C)CC(C)(C)O.
What is the InChIKey of 1-[[2-amino-1-(2-methylphenyl)propyl]-methylamino]-2-methylpropan-2-ol?
The InChIKey is MDFJFMIYAKPLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-11-8-6-7-9-13(11)14(12(2)16)17(5)10-15(3,4)18/h6-9,12,14,18H,10,16H2,1-5H3.
What are the key properties of 1-[[2-amino-1-(2-methylphenyl)propyl]-methylamino]-2-methylpropan-2-ol?
1-[[2-amino-1-(2-methylphenyl)propyl]-methylamino]-2-methylpropan-2-ol has a molecular weight of 250.39 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-amino-1-(2-methylphenyl)propyl]-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 79385263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).