N-[(5-bromo-2-methylphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine

C14H23BrN2 — CID 115255028

IUPACN-[(5-bromo-2-methylphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine
SMILESCCC(CNC)CNCc1cc(Br)ccc1C
InChIInChI=1S/C14H23BrN2/c1-4-12(8-16-3)9-17-10-13-7-14(15)6-5-11(13)2/h5-7,12,16-17H,4,8-10H2,1-3H3
InChIKeyDXEYPMRSHUGCPA-UHFFFAOYSA-N
MW299.26 g/mol
LogP3.09
Rot. Bonds7

About N-[(5-bromo-2-methylphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine

N-[(5-bromo-2-methylphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine (PubChem CID 115255028) has the molecular formula C14H23BrN2 and a molecular weight of 299.26 g/mol. Its IUPAC name is N-[(5-bromo-2-methylphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[(5-bromo-2-methylphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine
PubChem CID115255028
Molecular FormulaC14H23BrN2
Molecular Weight299.26 g/mol
Exact Mass298.10
IUPAC NameN-[(5-bromo-2-methylphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine
SMILESCCC(CNC)CNCc1cc(Br)ccc1C
InChIInChI=1S/C14H23BrN2/c1-4-12(8-16-3)9-17-10-13-7-14(15)6-5-11(13)2/h5-7,12,16-17H,4,8-10H2,1-3H3
InChIKeyDXEYPMRSHUGCPA-UHFFFAOYSA-N
XLogP3.09
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N-methyl-N'-[(2,4,5-trimethylphenyl)methyl]propane-1,3-diamine
CID 115255007
N-[(5-bromo-2-methylphenyl)methyl]propan-1-amine
CID 65307998
N-[(2-bromophenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine
CID 115255045
3-amino-4-[(5-bromo-2-methylphenyl)methylamino]butanoic acid
CID 115241707
1-(5-bromo-2-methylphenyl)-N-(methylsulfanylmethyl)methanamine
CID 91249682
3-[(5-bromo-2-methylphenyl)methylamino]propane-1-thiol
CID 115224928
N'-[(5-tert-butyl-2-methylphenyl)methyl]-2-ethylpropane-1,3-diamine
CID 115251439
5-[(5-bromo-2-methylphenyl)methylamino]-4-hydroxypentanoic acid
CID 115122702
2-ethyl-N-[(4-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 115254964
N-[(5-bromo-2-methylphenyl)methyl]ethanesulfonamide
CID 110787171
2-[(4-bromophenyl)methyl]-3-(2,5-dimethylphenyl)-N-methylpropan-1-amine
CID 63523328
N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethyl-N,N'-dimethylpropane-1,3-diamine
CID 115255077

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methylphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine?
The IUPAC name of N-[(5-bromo-2-methylphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine (CID 115255028) is N-[(5-bromo-2-methylphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N-[(5-bromo-2-methylphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine?
The canonical SMILES for N-[(5-bromo-2-methylphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine is CCC(CNC)CNCc1cc(Br)ccc1C.
What is the InChIKey of N-[(5-bromo-2-methylphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine?
The InChIKey is DXEYPMRSHUGCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2/c1-4-12(8-16-3)9-17-10-13-7-14(15)6-5-11(13)2/h5-7,12,16-17H,4,8-10H2,1-3H3.
What are the key properties of N-[(5-bromo-2-methylphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine?
N-[(5-bromo-2-methylphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine has a molecular weight of 299.26 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methylphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 115255028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).