1-(3-bromophenyl)-N'-(2-methoxyethyl)-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine

C17H29BrN2O — CID 62617396

IUPAC1-(3-bromophenyl)-N'-(2-methoxyethyl)-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCNC(CCN(CCOC)CC(C)C)c1cccc(Br)c1
InChIInChI=1S/C17H29BrN2O/c1-14(2)13-20(10-11-21-4)9-8-17(19-3)15-6-5-7-16(18)12-15/h5-7,12,14,17,19H,8-11,13H2,1-4H3
InChIKeyWQABIIGDIBWSJE-UHFFFAOYSA-N
MW357.34 g/mol
LogP3.70
Rot. Bonds10

About 1-(3-bromophenyl)-N'-(2-methoxyethyl)-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine

1-(3-bromophenyl)-N'-(2-methoxyethyl)-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine (PubChem CID 62617396) has the molecular formula C17H29BrN2O and a molecular weight of 357.34 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N'-(2-methoxyethyl)-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N'-(2-methoxyethyl)-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine
PubChem CID62617396
Molecular FormulaC17H29BrN2O
Molecular Weight357.34 g/mol
Exact Mass356.15
IUPAC Name1-(3-bromophenyl)-N'-(2-methoxyethyl)-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCNC(CCN(CCOC)CC(C)C)c1cccc(Br)c1
InChIInChI=1S/C17H29BrN2O/c1-14(2)13-20(10-11-21-4)9-8-17(19-3)15-6-5-7-16(18)12-15/h5-7,12,14,17,19H,8-11,13H2,1-4H3
InChIKeyWQABIIGDIBWSJE-UHFFFAOYSA-N
XLogP3.70
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-bromophenyl)-N'-(2-methoxyethyl)-N-methyl-N'-(2-methylpropyl)propane-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-(3-bromophenyl)-N',N'-bis(2-methoxyethyl)-N-methylpropane-1,3-diamine
CID 62618958
N-(3-bromophenyl)-N'-(2-methoxyethyl)-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62556159
3-[bis(2-methoxyethyl)amino]-1-(3-bromophenyl)propan-1-ol
CID 62618326
1-(3-bromophenyl)-N,N'-dimethyl-N'-(2-methylbutyl)propane-1,3-diamine
CID 62618729
1-(3-bromophenyl)-N'-ethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62618210
N',N'-bis(2-methoxyethyl)-N-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62618960
1-(3-bromophenyl)-N'-cyclopentyl-N,N'-dimethylpropane-1,3-diamine
CID 62618045
1-(3-bromophenyl)-N,N'-diethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine
CID 62617737
1-(3-bromophenyl)-N'-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
CID 63495016
1-(3-bromophenyl)-1-N,4-dimethylpentane-1,4-diamine
CID 116950243
N'-(2-methoxyethyl)-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine
CID 55138914
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-(3-bromophenyl)-N'-(2-methoxyethyl)-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine?
The IUPAC name of 1-(3-bromophenyl)-N'-(2-methoxyethyl)-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine (CID 62617396) is 1-(3-bromophenyl)-N'-(2-methoxyethyl)-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine.
What is the SMILES notation for 1-(3-bromophenyl)-N'-(2-methoxyethyl)-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine?
The canonical SMILES for 1-(3-bromophenyl)-N'-(2-methoxyethyl)-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine is CNC(CCN(CCOC)CC(C)C)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N'-(2-methoxyethyl)-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine?
The InChIKey is WQABIIGDIBWSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29BrN2O/c1-14(2)13-20(10-11-21-4)9-8-17(19-3)15-6-5-7-16(18)12-15/h5-7,12,14,17,19H,8-11,13H2,1-4H3.
What are the key properties of 1-(3-bromophenyl)-N'-(2-methoxyethyl)-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine?
1-(3-bromophenyl)-N'-(2-methoxyethyl)-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine has a molecular weight of 357.34 g/mol, XLogP of 3.70, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N'-(2-methoxyethyl)-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine is sourced from PubChem (CID 62617396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).