1-(2-bromophenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine

C14H23BrN2 — CID 116913535

IUPAC1-(2-bromophenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)C(c1ccccc1Br)N(C)C
InChIInChI=1S/C14H23BrN2/c1-10(2)12(9-16)14(17(3)4)11-7-5-6-8-13(11)15/h5-8,10,12,14H,9,16H2,1-4H3
InChIKeyFVAGPELIYSIYHH-UHFFFAOYSA-N
MW299.26 g/mol
LogP3.28
Rot. Bonds5

About 1-(2-bromophenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine

1-(2-bromophenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine (PubChem CID 116913535) has the molecular formula C14H23BrN2 and a molecular weight of 299.26 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine
PubChem CID116913535
Molecular FormulaC14H23BrN2
Molecular Weight299.26 g/mol
Exact Mass298.10
IUPAC Name1-(2-bromophenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)C(c1ccccc1Br)N(C)C
InChIInChI=1S/C14H23BrN2/c1-10(2)12(9-16)14(17(3)4)11-7-5-6-8-13(11)15/h5-8,10,12,14H,9,16H2,1-4H3
InChIKeyFVAGPELIYSIYHH-UHFFFAOYSA-N
XLogP3.28
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-methoxyphenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 116913502
2-[(2-bromophenyl)-(dimethylamino)methyl]-3-methylbutanenitrile
CID 116913837
1-(2-bromophenyl)-N,N,3-trimethylbutane-1,4-diamine
CID 116905528
1-(5-bromothiophen-2-yl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 116913500
1-(2,4-dimethylphenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 116913495
1-(2-bromophenyl)-1-N-methyl-1-N-(3-methylbutan-2-yl)propane-1,2-diamine
CID 55022491
1-(2-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine
CID 62980719
1-(2-bromophenyl)-1-N-butan-2-yl-1-N-methylpropane-1,2-diamine
CID 55022779
3-amino-1-(2-bromophenyl)-2-methylpropan-1-ol
CID 60733986
2-(2-bromophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66276282
1-[[2-amino-1-(2-bromophenyl)propyl]-methylamino]-2-methylpropan-2-ol
CID 79384269
1-(2-bromophenyl)-1-N-[3-(dimethylamino)propyl]-1-N-methylpropane-1,2-diamine
CID 63694266

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of 1-(2-bromophenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine (CID 116913535) is 1-(2-bromophenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for 1-(2-bromophenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for 1-(2-bromophenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine is CC(C)C(CN)C(c1ccccc1Br)N(C)C.
What is the InChIKey of 1-(2-bromophenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is FVAGPELIYSIYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2/c1-10(2)12(9-16)14(17(3)4)11-7-5-6-8-13(11)15/h5-8,10,12,14H,9,16H2,1-4H3.
What are the key properties of 1-(2-bromophenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine?
1-(2-bromophenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 299.26 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 116913535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).