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

C15H23BrN2O — CID 82743614

IUPAC1-(3-bromophenyl)-N,N'-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine
SMILESCNC(CCN(C)C1CCOC1)c1cccc(Br)c1
InChIInChI=1S/C15H23BrN2O/c1-17-15(12-4-3-5-13(16)10-12)6-8-18(2)14-7-9-19-11-14/h3-5,10,14-15,17H,6-9,11H2,1-2H3
InChIKeyHZSNRBSKCWZOIC-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.82
Rot. Bonds6

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

1-(3-bromophenyl)-N,N'-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine (PubChem CID 82743614) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N,N'-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N,N'-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine
PubChem CID82743614
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name1-(3-bromophenyl)-N,N'-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine
SMILESCNC(CCN(C)C1CCOC1)c1cccc(Br)c1
InChIInChI=1S/C15H23BrN2O/c1-17-15(12-4-3-5-13(16)10-12)6-8-18(2)14-7-9-19-11-14/h3-5,10,14-15,17H,6-9,11H2,1-2H3
InChIKeyHZSNRBSKCWZOIC-UHFFFAOYSA-N
XLogP2.82
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-N,N'-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82744103
1-(3-bromophenyl)-N'-cyclopentyl-N,N'-dimethylpropane-1,3-diamine
CID 62618045
1-(3-bromophenyl)-N'-(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropane-1,3-diamine
CID 62619786
N-ethyl-N'-methyl-1-(3-methylphenyl)-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82743687
3-[methyl(oxolan-3-yl)amino]-1-(3-methylphenyl)propan-1-ol
CID 82754768
1-(3-bromophenyl)-N,N'-dimethyl-N'-(2-methylbutyl)propane-1,3-diamine
CID 62618729
1-(3-bromophenyl)-N'-(furan-2-ylmethyl)-N,N'-dimethylpropane-1,3-diamine
CID 62617201
1-(3-bromophenyl)-N',N'-bis(2-methoxyethyl)-N-methylpropane-1,3-diamine
CID 62618958
1-(3-fluorophenyl)-N,N'-dimethyl-N'-(4-methylcyclohexyl)propane-1,3-diamine
CID 62643009
1-(3-bromophenyl)-N'-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
CID 63495016
N-methyl-3-[1-(methylamino)propyl]-N-(oxolan-3-yl)benzenesulfonamide
CID 82737506
1-(2-bromophenyl)-N'-methyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82743611

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N,N'-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine?
The IUPAC name of 1-(3-bromophenyl)-N,N'-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine (CID 82743614) is 1-(3-bromophenyl)-N,N'-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine.
What is the SMILES notation for 1-(3-bromophenyl)-N,N'-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine?
The canonical SMILES for 1-(3-bromophenyl)-N,N'-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine is CNC(CCN(C)C1CCOC1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N,N'-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine?
The InChIKey is HZSNRBSKCWZOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-17-15(12-4-3-5-13(16)10-12)6-8-18(2)14-7-9-19-11-14/h3-5,10,14-15,17H,6-9,11H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-N,N'-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine?
1-(3-bromophenyl)-N,N'-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine has a molecular weight of 327.27 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N,N'-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine is sourced from PubChem (CID 82743614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).