1-(4-bromophenyl)-N,N'-diethyl-N'-(2-methylbutyl)propane-1,3-diamine

C18H31BrN2 — CID 79481550

IUPAC1-(4-bromophenyl)-N,N'-diethyl-N'-(2-methylbutyl)propane-1,3-diamine
SMILESCCNC(CCN(CC)CC(C)CC)c1ccc(Br)cc1
InChIInChI=1S/C18H31BrN2/c1-5-15(4)14-21(7-3)13-12-18(20-6-2)16-8-10-17(19)11-9-16/h8-11,15,18,20H,5-7,12-14H2,1-4H3
InChIKeyMFEZTEGPLPFCQN-UHFFFAOYSA-N
MW355.36 g/mol
LogP4.86
Rot. Bonds10

About 1-(4-bromophenyl)-N,N'-diethyl-N'-(2-methylbutyl)propane-1,3-diamine

1-(4-bromophenyl)-N,N'-diethyl-N'-(2-methylbutyl)propane-1,3-diamine (PubChem CID 79481550) has the molecular formula C18H31BrN2 and a molecular weight of 355.36 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N,N'-diethyl-N'-(2-methylbutyl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N,N'-diethyl-N'-(2-methylbutyl)propane-1,3-diamine
PubChem CID79481550
Molecular FormulaC18H31BrN2
Molecular Weight355.36 g/mol
Exact Mass354.17
IUPAC Name1-(4-bromophenyl)-N,N'-diethyl-N'-(2-methylbutyl)propane-1,3-diamine
SMILESCCNC(CCN(CC)CC(C)CC)c1ccc(Br)cc1
InChIInChI=1S/C18H31BrN2/c1-5-15(4)14-21(7-3)13-12-18(20-6-2)16-8-10-17(19)11-9-16/h8-11,15,18,20H,5-7,12-14H2,1-4H3
InChIKeyMFEZTEGPLPFCQN-UHFFFAOYSA-N
XLogP4.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-diethyl-N'-(2-methylbutyl)-1-(2-methylphenyl)propane-1,3-diamine
CID 79480262
2-[[3-(4-bromophenyl)-3-(ethylamino)propyl]-(2,2-difluoroethyl)amino]ethanol
CID 107486486
1-(4-bromophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine
CID 55098939
1-(4-bromophenyl)-N'-cyclopropyl-N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 63493312
1-(4-bromo-2-chlorophenyl)-N'-ethyl-N-methyl-N'-(2-methylbutyl)propane-1,3-diamine
CID 82777986
N,N',N'-triethyl-1-(4-propan-2-yloxyphenyl)propane-1,3-diamine
CID 79094593
N,N'-diethyl-1-(4-methylphenyl)-N'-propylpropane-1,3-diamine
CID 62617865
1-(4-ethoxyphenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 79087914
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N',N'-triethylpropane-1,3-diamine
CID 79094602
2-[[3-(4-bromophenyl)-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol
CID 62618754
N'-ethyl-N'-(2-methylbutyl)-1-(4-methylphenyl)propane-1,3-diamine
CID 79481346
1-(4-bromophenyl)-N'-[3-(dimethylamino)propyl]-N'-ethyl-N-methylpropane-1,3-diamine
CID 102997097

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N,N'-diethyl-N'-(2-methylbutyl)propane-1,3-diamine?
The IUPAC name of 1-(4-bromophenyl)-N,N'-diethyl-N'-(2-methylbutyl)propane-1,3-diamine (CID 79481550) is 1-(4-bromophenyl)-N,N'-diethyl-N'-(2-methylbutyl)propane-1,3-diamine.
What is the SMILES notation for 1-(4-bromophenyl)-N,N'-diethyl-N'-(2-methylbutyl)propane-1,3-diamine?
The canonical SMILES for 1-(4-bromophenyl)-N,N'-diethyl-N'-(2-methylbutyl)propane-1,3-diamine is CCNC(CCN(CC)CC(C)CC)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N,N'-diethyl-N'-(2-methylbutyl)propane-1,3-diamine?
The InChIKey is MFEZTEGPLPFCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31BrN2/c1-5-15(4)14-21(7-3)13-12-18(20-6-2)16-8-10-17(19)11-9-16/h8-11,15,18,20H,5-7,12-14H2,1-4H3.
What are the key properties of 1-(4-bromophenyl)-N,N'-diethyl-N'-(2-methylbutyl)propane-1,3-diamine?
1-(4-bromophenyl)-N,N'-diethyl-N'-(2-methylbutyl)propane-1,3-diamine has a molecular weight of 355.36 g/mol, XLogP of 4.86, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N,N'-diethyl-N'-(2-methylbutyl)propane-1,3-diamine is sourced from PubChem (CID 79481550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).