1-(2-bromophenyl)-N'-methyl-N'-(oxolan-3-yl)propane-1,3-diamine

C14H21BrN2O — CID 82743611

IUPAC1-(2-bromophenyl)-N'-methyl-N'-(oxolan-3-yl)propane-1,3-diamine
SMILESCN(CCC(N)c1ccccc1Br)C1CCOC1
InChIInChI=1S/C14H21BrN2O/c1-17(11-7-9-18-10-11)8-6-14(16)12-4-2-3-5-13(12)15/h2-5,11,14H,6-10,16H2,1H3
InChIKeyMPFQZDSRJIQERM-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.56
Rot. Bonds5

About 1-(2-bromophenyl)-N'-methyl-N'-(oxolan-3-yl)propane-1,3-diamine

1-(2-bromophenyl)-N'-methyl-N'-(oxolan-3-yl)propane-1,3-diamine (PubChem CID 82743611) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N'-methyl-N'-(oxolan-3-yl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N'-methyl-N'-(oxolan-3-yl)propane-1,3-diamine
PubChem CID82743611
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name1-(2-bromophenyl)-N'-methyl-N'-(oxolan-3-yl)propane-1,3-diamine
SMILESCN(CCC(N)c1ccccc1Br)C1CCOC1
InChIInChI=1S/C14H21BrN2O/c1-17(11-7-9-18-10-11)8-6-14(16)12-4-2-3-5-13(12)15/h2-5,11,14H,6-10,16H2,1H3
InChIKeyMPFQZDSRJIQERM-UHFFFAOYSA-N
XLogP2.56
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine
CID 62629255
1-(2-bromophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
CID 62624360
3-[methyl(oxolan-3-yl)amino]-1-(2-methylphenyl)propan-1-ol
CID 82754684
N'-methyl-1-naphthalen-1-yl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82734629
N'-cyclopropyl-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine
CID 62630764
1-(2-bromophenyl)-N'-methyl-N'-pentan-3-ylpropane-1,3-diamine
CID 62629071
1-(2-bromophenyl)-3-(3-methylmorpholin-4-yl)propan-1-amine
CID 62629586
N'-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2-bromophenyl)-N'-methylpropane-1,3-diamine
CID 63682366
1-(2-bromophenyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 55098747
2-[[3-amino-3-(2-bromophenyl)propyl]-methylamino]propan-1-ol
CID 104554558
1-(2-bromophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine
CID 62624168
1-(3-bromophenyl)-N,N'-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82743614

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N'-methyl-N'-(oxolan-3-yl)propane-1,3-diamine?
The IUPAC name of 1-(2-bromophenyl)-N'-methyl-N'-(oxolan-3-yl)propane-1,3-diamine (CID 82743611) is 1-(2-bromophenyl)-N'-methyl-N'-(oxolan-3-yl)propane-1,3-diamine.
What is the SMILES notation for 1-(2-bromophenyl)-N'-methyl-N'-(oxolan-3-yl)propane-1,3-diamine?
The canonical SMILES for 1-(2-bromophenyl)-N'-methyl-N'-(oxolan-3-yl)propane-1,3-diamine is CN(CCC(N)c1ccccc1Br)C1CCOC1.
What is the InChIKey of 1-(2-bromophenyl)-N'-methyl-N'-(oxolan-3-yl)propane-1,3-diamine?
The InChIKey is MPFQZDSRJIQERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-17(11-7-9-18-10-11)8-6-14(16)12-4-2-3-5-13(12)15/h2-5,11,14H,6-10,16H2,1H3.
What are the key properties of 1-(2-bromophenyl)-N'-methyl-N'-(oxolan-3-yl)propane-1,3-diamine?
1-(2-bromophenyl)-N'-methyl-N'-(oxolan-3-yl)propane-1,3-diamine has a molecular weight of 313.24 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N'-methyl-N'-(oxolan-3-yl)propane-1,3-diamine is sourced from PubChem (CID 82743611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).