1-(2-bromophenyl)-N-ethyl-N'-(1-methoxypropan-2-yl)-N'-methylpropane-1,3-diamine

C16H27BrN2O — CID 62630308

IUPAC1-(2-bromophenyl)-N-ethyl-N'-(1-methoxypropan-2-yl)-N'-methylpropane-1,3-diamine
SMILESCCNC(CCN(C)C(C)COC)c1ccccc1Br
InChIInChI=1S/C16H27BrN2O/c1-5-18-16(14-8-6-7-9-15(14)17)10-11-19(3)13(2)12-20-4/h6-9,13,16,18H,5,10-12H2,1-4H3
InChIKeyMBFQWLUVZSIHOA-UHFFFAOYSA-N
MW343.31 g/mol
LogP3.46
Rot. Bonds9

About 1-(2-bromophenyl)-N-ethyl-N'-(1-methoxypropan-2-yl)-N'-methylpropane-1,3-diamine

1-(2-bromophenyl)-N-ethyl-N'-(1-methoxypropan-2-yl)-N'-methylpropane-1,3-diamine (PubChem CID 62630308) has the molecular formula C16H27BrN2O and a molecular weight of 343.31 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-ethyl-N'-(1-methoxypropan-2-yl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-ethyl-N'-(1-methoxypropan-2-yl)-N'-methylpropane-1,3-diamine
PubChem CID62630308
Molecular FormulaC16H27BrN2O
Molecular Weight343.31 g/mol
Exact Mass342.13
IUPAC Name1-(2-bromophenyl)-N-ethyl-N'-(1-methoxypropan-2-yl)-N'-methylpropane-1,3-diamine
SMILESCCNC(CCN(C)C(C)COC)c1ccccc1Br
InChIInChI=1S/C16H27BrN2O/c1-5-18-16(14-8-6-7-9-15(14)17)10-11-19(3)13(2)12-20-4/h6-9,13,16,18H,5,10-12H2,1-4H3
InChIKeyMBFQWLUVZSIHOA-UHFFFAOYSA-N
XLogP3.46
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-bromophenyl)-N-ethyl-N'-(1-methoxypropan-2-yl)-N'-methylpropane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-bromophenyl)-N-ethyl-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine
CID 63495417
1-(2-bromophenyl)-N-ethyl-N'-(3-methoxypropyl)-N'-methylpropane-1,3-diamine
CID 63009011
1-(2-bromophenyl)-N'-(2,2-dimethylpropyl)-N-ethyl-N'-methylpropane-1,3-diamine
CID 63495598
N-ethyl-N'-(1-methoxypropan-2-yl)-N'-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62618250
1-(2-bromophenyl)-N'-butyl-N,N'-diethylpropane-1,3-diamine
CID 63483594
1-(2-bromophenyl)-N,N'-dimethyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine
CID 112665006
N-ethyl-1-(2-fluorophenyl)-N'-methyl-N'-pentan-2-ylpropane-1,3-diamine
CID 62644486
1-(2-bromophenyl)-N'-ethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine
CID 55098123
N-ethyl-1-(2-fluorophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine
CID 62643860
1-(2-bromophenyl)-N-ethyl-3-methylhexan-1-amine
CID 63417467
3-[1-methoxypropan-2-yl(methyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 62622938
1-(2-bromophenyl)-N'-ethyl-N'-(2-methoxyethyl)-N-methylpropane-1,3-diamine
CID 62629443

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-ethyl-N'-(1-methoxypropan-2-yl)-N'-methylpropane-1,3-diamine?
The IUPAC name of 1-(2-bromophenyl)-N-ethyl-N'-(1-methoxypropan-2-yl)-N'-methylpropane-1,3-diamine (CID 62630308) is 1-(2-bromophenyl)-N-ethyl-N'-(1-methoxypropan-2-yl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for 1-(2-bromophenyl)-N-ethyl-N'-(1-methoxypropan-2-yl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for 1-(2-bromophenyl)-N-ethyl-N'-(1-methoxypropan-2-yl)-N'-methylpropane-1,3-diamine is CCNC(CCN(C)C(C)COC)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-N-ethyl-N'-(1-methoxypropan-2-yl)-N'-methylpropane-1,3-diamine?
The InChIKey is MBFQWLUVZSIHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27BrN2O/c1-5-18-16(14-8-6-7-9-15(14)17)10-11-19(3)13(2)12-20-4/h6-9,13,16,18H,5,10-12H2,1-4H3.
What are the key properties of 1-(2-bromophenyl)-N-ethyl-N'-(1-methoxypropan-2-yl)-N'-methylpropane-1,3-diamine?
1-(2-bromophenyl)-N-ethyl-N'-(1-methoxypropan-2-yl)-N'-methylpropane-1,3-diamine has a molecular weight of 343.31 g/mol, XLogP of 3.46, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-ethyl-N'-(1-methoxypropan-2-yl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 62630308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).