1-(4-bromo-2-chlorophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine

C16H26BrClN2O — CID 82778438

IUPAC1-(4-bromo-2-chlorophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine
SMILESCCCNC(CCN(C)CCOC)c1ccc(Br)cc1Cl
InChIInChI=1S/C16H26BrClN2O/c1-4-8-19-16(7-9-20(2)10-11-21-3)14-6-5-13(17)12-15(14)18/h5-6,12,16,19H,4,7-11H2,1-3H3
InChIKeyQTKRUJTXWQEDKA-UHFFFAOYSA-N
MW377.75 g/mol
LogP4.11
Rot. Bonds10

About 1-(4-bromo-2-chlorophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine

1-(4-bromo-2-chlorophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine (PubChem CID 82778438) has the molecular formula C16H26BrClN2O and a molecular weight of 377.75 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine
PubChem CID82778438
Molecular FormulaC16H26BrClN2O
Molecular Weight377.75 g/mol
Exact Mass376.09
IUPAC Name1-(4-bromo-2-chlorophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine
SMILESCCCNC(CCN(C)CCOC)c1ccc(Br)cc1Cl
InChIInChI=1S/C16H26BrClN2O/c1-4-8-19-16(7-9-20(2)10-11-21-3)14-6-5-13(17)12-15(14)18/h5-6,12,16,19H,4,7-11H2,1-3H3
InChIKeyQTKRUJTXWQEDKA-UHFFFAOYSA-N
XLogP4.11
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.75
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromo-2-chlorophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine with MolForge

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Related Compounds

1-(4-bromo-2-chlorophenyl)-N'-butyl-N'-methyl-N-propylpropane-1,3-diamine
CID 82776155
N-[1-(4-bromo-2-chlorophenyl)-2-methoxyethyl]propan-1-amine
CID 105008686
1-(4-bromophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine
CID 62617256
1-(4-bromo-2-chlorophenyl)-N'-ethyl-N,N'-dipropylpropane-1,3-diamine
CID 82777421
1-(4-chlorophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine
CID 62643008
1-(3-chlorophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine
CID 62624520
1-(2-chloro-4-methylphenyl)-4-methoxy-N-propylbutan-1-amine
CID 106858855
1-(2-chlorophenyl)-N'-methyl-N,N'-dipropylpropane-1,3-diamine
CID 62643771
1-(4-bromo-2-chlorophenyl)-N-propyl-3-pyrrolidin-1-ylpropan-1-amine
CID 82779326
1-(4-bromo-2-chlorophenyl)-N-ethylbutan-1-amine
CID 114981819
1-(4-bromo-2-chlorophenyl)-N-ethyl-N'-methyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine
CID 82776914
N-[1-(4-bromo-2-chlorophenyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 63528786

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine (CID 82778438) is 1-(4-bromo-2-chlorophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine is CCCNC(CCN(C)CCOC)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine?
The InChIKey is QTKRUJTXWQEDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrClN2O/c1-4-8-19-16(7-9-20(2)10-11-21-3)14-6-5-13(17)12-15(14)18/h5-6,12,16,19H,4,7-11H2,1-3H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine?
1-(4-bromo-2-chlorophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine has a molecular weight of 377.75 g/mol, XLogP of 4.11, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine is sourced from PubChem (CID 82778438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).