1-[[2-amino-1-(4-bromophenyl)ethyl]-methylamino]-2-methylpropan-2-ol

C13H21BrN2O — CID 79385181

IUPAC1-[[2-amino-1-(4-bromophenyl)ethyl]-methylamino]-2-methylpropan-2-ol
SMILESCN(CC(C)(C)O)C(CN)c1ccc(Br)cc1
InChIInChI=1S/C13H21BrN2O/c1-13(2,17)9-16(3)12(8-15)10-4-6-11(14)7-5-10/h4-7,12,17H,8-9,15H2,1-3H3
InChIKeyCTSTZZJYOGMBAT-UHFFFAOYSA-N
MW301.23 g/mol
LogP2.15
Rot. Bonds5

About 1-[[2-amino-1-(4-bromophenyl)ethyl]-methylamino]-2-methylpropan-2-ol

1-[[2-amino-1-(4-bromophenyl)ethyl]-methylamino]-2-methylpropan-2-ol (PubChem CID 79385181) has the molecular formula C13H21BrN2O and a molecular weight of 301.23 g/mol. Its IUPAC name is 1-[[2-amino-1-(4-bromophenyl)ethyl]-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[2-amino-1-(4-bromophenyl)ethyl]-methylamino]-2-methylpropan-2-ol
PubChem CID79385181
Molecular FormulaC13H21BrN2O
Molecular Weight301.23 g/mol
Exact Mass300.08
IUPAC Name1-[[2-amino-1-(4-bromophenyl)ethyl]-methylamino]-2-methylpropan-2-ol
SMILESCN(CC(C)(C)O)C(CN)c1ccc(Br)cc1
InChIInChI=1S/C13H21BrN2O/c1-13(2,17)9-16(3)12(8-15)10-4-6-11(14)7-5-10/h4-7,12,17H,8-9,15H2,1-3H3
InChIKeyCTSTZZJYOGMBAT-UHFFFAOYSA-N
XLogP2.15
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-amino-1-(4-bromophenyl)propyl]-methylamino]-2-methylpropan-2-ol
CID 79384679
1-[[2-amino-1-(3-methylphenyl)ethyl]-methylamino]-2-methylpropan-2-ol
CID 79384268
1-(4-bromophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112657404
1-[4-(difluoromethyl)phenyl]-N-(2,2-dimethylpropyl)-N-methylethane-1,2-diamine
CID 115524310
1-[[2-amino-1-(3-methoxyphenyl)ethyl]-methylamino]-2-methylpropan-2-ol
CID 79384884
1-(4-bromophenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine
CID 65484872
4-amino-3-(4-bromophenyl)-2-methylbutan-2-ol
CID 83693483
1-[[2-amino-1-(3-methylthiophen-2-yl)ethyl]-methylamino]-2-methylpropan-2-ol
CID 79384371
1-(4-bromophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethane-1,2-diamine
CID 55016075
2-[[2-amino-1-(4-bromophenyl)ethyl]-methylamino]cyclohexan-1-ol
CID 102631579
N'-[2-amino-1-(4-bromophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991504
4-(4-bromophenyl)-4-(dimethylamino)-2,2-dimethylbutanoic acid
CID 116908313

Frequently Asked Questions

What is the IUPAC name of 1-[[2-amino-1-(4-bromophenyl)ethyl]-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[2-amino-1-(4-bromophenyl)ethyl]-methylamino]-2-methylpropan-2-ol (CID 79385181) is 1-[[2-amino-1-(4-bromophenyl)ethyl]-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[2-amino-1-(4-bromophenyl)ethyl]-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[2-amino-1-(4-bromophenyl)ethyl]-methylamino]-2-methylpropan-2-ol is CN(CC(C)(C)O)C(CN)c1ccc(Br)cc1.
What is the InChIKey of 1-[[2-amino-1-(4-bromophenyl)ethyl]-methylamino]-2-methylpropan-2-ol?
The InChIKey is CTSTZZJYOGMBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O/c1-13(2,17)9-16(3)12(8-15)10-4-6-11(14)7-5-10/h4-7,12,17H,8-9,15H2,1-3H3.
What are the key properties of 1-[[2-amino-1-(4-bromophenyl)ethyl]-methylamino]-2-methylpropan-2-ol?
1-[[2-amino-1-(4-bromophenyl)ethyl]-methylamino]-2-methylpropan-2-ol has a molecular weight of 301.23 g/mol, XLogP of 2.15, 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-(4-bromophenyl)ethyl]-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 79385181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).