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

C14H23BrN2O — CID 79384679

IUPAC1-[[2-amino-1-(4-bromophenyl)propyl]-methylamino]-2-methylpropan-2-ol
SMILESCC(N)C(c1ccc(Br)cc1)N(C)CC(C)(C)O
InChIInChI=1S/C14H23BrN2O/c1-10(16)13(17(4)9-14(2,3)18)11-5-7-12(15)8-6-11/h5-8,10,13,18H,9,16H2,1-4H3
InChIKeyGZVZWOOMGQIXKZ-UHFFFAOYSA-N
MW315.25 g/mol
LogP2.54
Rot. Bonds5

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

1-[[2-amino-1-(4-bromophenyl)propyl]-methylamino]-2-methylpropan-2-ol (PubChem CID 79384679) has the molecular formula C14H23BrN2O and a molecular weight of 315.25 g/mol. Its IUPAC name is 1-[[2-amino-1-(4-bromophenyl)propyl]-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[2-amino-1-(4-bromophenyl)propyl]-methylamino]-2-methylpropan-2-ol
PubChem CID79384679
Molecular FormulaC14H23BrN2O
Molecular Weight315.25 g/mol
Exact Mass314.10
IUPAC Name1-[[2-amino-1-(4-bromophenyl)propyl]-methylamino]-2-methylpropan-2-ol
SMILESCC(N)C(c1ccc(Br)cc1)N(C)CC(C)(C)O
InChIInChI=1S/C14H23BrN2O/c1-10(16)13(17(4)9-14(2,3)18)11-5-7-12(15)8-6-11/h5-8,10,13,18H,9,16H2,1-4H3
InChIKeyGZVZWOOMGQIXKZ-UHFFFAOYSA-N
XLogP2.54
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.25
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[2-amino-1-(4-bromophenyl)propyl]-methylamino]-2-methylpropan-2-ol with MolForge

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Related Compounds

1-[[2-amino-1-(2-bromophenyl)propyl]-methylamino]-2-methylpropan-2-ol
CID 79384269
1-[[2-amino-1-(4-bromophenyl)ethyl]-methylamino]-2-methylpropan-2-ol
CID 79385181
1-(4-bromophenyl)-1-N-ethyl-1-N-propan-2-ylpropane-1,2-diamine
CID 55015880
1-(4-bromophenyl)-1-N-methyl-1-N-pentan-2-ylpropane-1,2-diamine
CID 55015882
1-[[2-amino-1-(furan-2-yl)propyl]-methylamino]-2-methylpropan-2-ol
CID 79384583
1-[[2-amino-1-(2-methylphenyl)propyl]-methylamino]-2-methylpropan-2-ol
CID 79385263
1-(4-bromophenyl)-1-N-ethyl-1-N-propylpropane-1,2-diamine
CID 55015975
1-(4-bromophenyl)-1-N-butyl-1-N-ethylpropane-1,2-diamine
CID 55015637
1-(4-bromophenyl)-1-N-methyl-1-N-(4-methylcyclohexyl)propane-1,2-diamine
CID 63406064
1-[4-[1-(4-bromophenyl)ethyl]phenyl]-2-methylpropan-2-ol
CID 90913483
1-(4-bromophenyl)-1-N-cyclopropyl-1-N-propylpropane-1,2-diamine
CID 55016024
4-amino-3-(4-bromophenyl)-2-methylbutan-2-ol
CID 83693483

Frequently Asked Questions

What is the IUPAC name of 1-[[2-amino-1-(4-bromophenyl)propyl]-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[2-amino-1-(4-bromophenyl)propyl]-methylamino]-2-methylpropan-2-ol (CID 79384679) is 1-[[2-amino-1-(4-bromophenyl)propyl]-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[2-amino-1-(4-bromophenyl)propyl]-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[2-amino-1-(4-bromophenyl)propyl]-methylamino]-2-methylpropan-2-ol is CC(N)C(c1ccc(Br)cc1)N(C)CC(C)(C)O.
What is the InChIKey of 1-[[2-amino-1-(4-bromophenyl)propyl]-methylamino]-2-methylpropan-2-ol?
The InChIKey is GZVZWOOMGQIXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O/c1-10(16)13(17(4)9-14(2,3)18)11-5-7-12(15)8-6-11/h5-8,10,13,18H,9,16H2,1-4H3.
What are the key properties of 1-[[2-amino-1-(4-bromophenyl)propyl]-methylamino]-2-methylpropan-2-ol?
1-[[2-amino-1-(4-bromophenyl)propyl]-methylamino]-2-methylpropan-2-ol has a molecular weight of 315.25 g/mol, XLogP of 2.54, 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)propyl]-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 79384679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).