N'-[4-(2-aminopropyl)-2-bromophenyl]-N,N,N'-trimethylethane-1,2-diamine

C14H24BrN3 — CID 114063003

IUPACN'-[4-(2-aminopropyl)-2-bromophenyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCC(N)Cc1ccc(N(C)CCN(C)C)c(Br)c1
InChIInChI=1S/C14H24BrN3/c1-11(16)9-12-5-6-14(13(15)10-12)18(4)8-7-17(2)3/h5-6,10-11H,7-9,16H2,1-4H3
InChIKeyXINOSHUTNVOODI-UHFFFAOYSA-N
MW314.27 g/mol
LogP2.34
Rot. Bonds6

About N'-[4-(2-aminopropyl)-2-bromophenyl]-N,N,N'-trimethylethane-1,2-diamine

N'-[4-(2-aminopropyl)-2-bromophenyl]-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 114063003) has the molecular formula C14H24BrN3 and a molecular weight of 314.27 g/mol. Its IUPAC name is N'-[4-(2-aminopropyl)-2-bromophenyl]-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[4-(2-aminopropyl)-2-bromophenyl]-N,N,N'-trimethylethane-1,2-diamine
PubChem CID114063003
Molecular FormulaC14H24BrN3
Molecular Weight314.27 g/mol
Exact Mass313.12
IUPAC NameN'-[4-(2-aminopropyl)-2-bromophenyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCC(N)Cc1ccc(N(C)CCN(C)C)c(Br)c1
InChIInChI=1S/C14H24BrN3/c1-11(16)9-12-5-6-14(13(15)10-12)18(4)8-7-17(2)3/h5-6,10-11H,7-9,16H2,1-4H3
InChIKeyXINOSHUTNVOODI-UHFFFAOYSA-N
XLogP2.34
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[4-(2-aminopropyl)-2-chlorophenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 81165775
1-(3-bromo-4-methylphenyl)propan-2-amine
CID 83710327
N'-[4-[(1R)-1-aminoethyl]-2-bromophenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63694904
4-(2-aminopropyl)-N,N,2-trimethylaniline
CID 3043622
2-[4-(aminomethyl)-2-bromo-N-methylanilino]ethanol
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4-[2-bromo-4-(ethylaminomethyl)-N-methylanilino]butan-2-ol
CID 114062857
4-(aminomethyl)-2-bromo-N-butyl-N-methylaniline
CID 82795159
(2S)-1-(4-bromo-3-chlorophenyl)propan-2-amine
CID 130730966
1-(3-bromo-4-pentan-3-ylphenyl)propan-2-amine
CID 117457500
2-bromo-1-N-[3-(dimethylamino)propyl]-1-N-methylbenzene-1,4-diamine
CID 63693227
[3-bromo-4-[methyl(2-propan-2-yloxyethyl)amino]phenyl]methanol
CID 114062387
2-[4-(1-aminoethyl)-2-bromo-N-methylanilino]ethanol
CID 62909377

Frequently Asked Questions

What is the IUPAC name of N'-[4-(2-aminopropyl)-2-bromophenyl]-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-[4-(2-aminopropyl)-2-bromophenyl]-N,N,N'-trimethylethane-1,2-diamine (CID 114063003) is N'-[4-(2-aminopropyl)-2-bromophenyl]-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-[4-(2-aminopropyl)-2-bromophenyl]-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-[4-(2-aminopropyl)-2-bromophenyl]-N,N,N'-trimethylethane-1,2-diamine is CC(N)Cc1ccc(N(C)CCN(C)C)c(Br)c1.
What is the InChIKey of N'-[4-(2-aminopropyl)-2-bromophenyl]-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is XINOSHUTNVOODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN3/c1-11(16)9-12-5-6-14(13(15)10-12)18(4)8-7-17(2)3/h5-6,10-11H,7-9,16H2,1-4H3.
What are the key properties of N'-[4-(2-aminopropyl)-2-bromophenyl]-N,N,N'-trimethylethane-1,2-diamine?
N'-[4-(2-aminopropyl)-2-bromophenyl]-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 314.27 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(2-aminopropyl)-2-bromophenyl]-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 114063003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).