1-(4-bromo-2-chlorophenyl)-N'-ethyl-N,N'-dipropylpropane-1,3-diamine

C17H28BrClN2 — CID 82777421

IUPAC1-(4-bromo-2-chlorophenyl)-N'-ethyl-N,N'-dipropylpropane-1,3-diamine
SMILESCCCNC(CCN(CC)CCC)c1ccc(Br)cc1Cl
InChIInChI=1S/C17H28BrClN2/c1-4-10-20-17(9-12-21(6-3)11-5-2)15-8-7-14(18)13-16(15)19/h7-8,13,17,20H,4-6,9-12H2,1-3H3
InChIKeyZMUKOTHIZKJJJM-UHFFFAOYSA-N
MW375.78 g/mol
LogP5.27
Rot. Bonds10

About 1-(4-bromo-2-chlorophenyl)-N'-ethyl-N,N'-dipropylpropane-1,3-diamine

1-(4-bromo-2-chlorophenyl)-N'-ethyl-N,N'-dipropylpropane-1,3-diamine (PubChem CID 82777421) has the molecular formula C17H28BrClN2 and a molecular weight of 375.78 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-N'-ethyl-N,N'-dipropylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-N'-ethyl-N,N'-dipropylpropane-1,3-diamine
PubChem CID82777421
Molecular FormulaC17H28BrClN2
Molecular Weight375.78 g/mol
Exact Mass374.11
IUPAC Name1-(4-bromo-2-chlorophenyl)-N'-ethyl-N,N'-dipropylpropane-1,3-diamine
SMILESCCCNC(CCN(CC)CCC)c1ccc(Br)cc1Cl
InChIInChI=1S/C17H28BrClN2/c1-4-10-20-17(9-12-21(6-3)11-5-2)15-8-7-14(18)13-16(15)19/h7-8,13,17,20H,4-6,9-12H2,1-3H3
InChIKeyZMUKOTHIZKJJJM-UHFFFAOYSA-N
XLogP5.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.78
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-chlorophenyl)-N'-butyl-N'-methyl-N-propylpropane-1,3-diamine
CID 82776155
2-[[3-(4-bromo-2-chlorophenyl)-3-(ethylamino)propyl]-propylamino]ethanol
CID 82775218
1-(4-bromo-2-chlorophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine
CID 82778438
N-[1-(4-bromo-2-chlorophenyl)-2-methoxyethyl]propan-1-amine
CID 105008686
1-(4-bromo-2-chlorophenyl)-N-propyl-3-pyrrolidin-1-ylpropan-1-amine
CID 82779326
1-(4-bromo-2-chlorophenyl)-N-ethyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine
CID 82775892
1-(4-bromo-2-chlorophenyl)-N-ethylbutan-1-amine
CID 114981819
1-(2-chloro-5-fluorophenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine
CID 105395205
1-(4-bromo-2-chlorophenyl)-N'-ethyl-N-methyl-N'-(2-methylbutyl)propane-1,3-diamine
CID 82777986
N'-ethyl-1-(2-methylphenyl)-N,N'-dipropylpropane-1,3-diamine
CID 63483080
1-(4-bromo-2-chlorophenyl)-3-[butyl(ethyl)amino]propan-1-ol
CID 82781584
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'-ethyl-N,N'-dipropylpropane-1,3-diamine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-N'-ethyl-N,N'-dipropylpropane-1,3-diamine (CID 82777421) is 1-(4-bromo-2-chlorophenyl)-N'-ethyl-N,N'-dipropylpropane-1,3-diamine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-N'-ethyl-N,N'-dipropylpropane-1,3-diamine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-N'-ethyl-N,N'-dipropylpropane-1,3-diamine is CCCNC(CCN(CC)CCC)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-N'-ethyl-N,N'-dipropylpropane-1,3-diamine?
The InChIKey is ZMUKOTHIZKJJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrClN2/c1-4-10-20-17(9-12-21(6-3)11-5-2)15-8-7-14(18)13-16(15)19/h7-8,13,17,20H,4-6,9-12H2,1-3H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-N'-ethyl-N,N'-dipropylpropane-1,3-diamine?
1-(4-bromo-2-chlorophenyl)-N'-ethyl-N,N'-dipropylpropane-1,3-diamine has a molecular weight of 375.78 g/mol, XLogP of 5.27, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-N'-ethyl-N,N'-dipropylpropane-1,3-diamine is sourced from PubChem (CID 82777421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).