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

C17H28BrClN2 — CID 82776155

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

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

1-(4-bromo-2-chlorophenyl)-N'-butyl-N'-methyl-N-propylpropane-1,3-diamine (PubChem CID 82776155) has the molecular formula C17H28BrClN2 and a molecular weight of 375.78 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-N'-butyl-N'-methyl-N-propylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-N'-butyl-N'-methyl-N-propylpropane-1,3-diamine
PubChem CID82776155
Molecular FormulaC17H28BrClN2
Molecular Weight375.78 g/mol
Exact Mass374.11
IUPAC Name1-(4-bromo-2-chlorophenyl)-N'-butyl-N'-methyl-N-propylpropane-1,3-diamine
SMILESCCCCN(C)CCC(NCCC)c1ccc(Br)cc1Cl
InChIInChI=1S/C17H28BrClN2/c1-4-6-11-21(3)12-9-17(20-10-5-2)15-8-7-14(18)13-16(15)19/h7-8,13,17,20H,4-6,9-12H2,1-3H3
InChIKeyGPWPKUAAKCCRFU-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'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine
CID 82778438
1-(4-bromo-2-chlorophenyl)-N'-ethyl-N,N'-dipropylpropane-1,3-diamine
CID 82777421
N-[1-(4-bromo-2-chlorophenyl)-2-methoxyethyl]propan-1-amine
CID 105008686
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-(2-chloro-4-methylphenyl)-N-propyloctan-1-amine
CID 106857214
1-(4-bromo-2-methylphenyl)-N-propylpentan-1-amine
CID 115832820
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
2-[[3-(4-bromo-2-chlorophenyl)-3-(ethylamino)propyl]-propylamino]ethanol
CID 82775218
1-(4-bromo-2-chlorophenyl)-N'-cyclopropyl-N,N'-diethylpropane-1,3-diamine
CID 82779676

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-N'-butyl-N'-methyl-N-propylpropane-1,3-diamine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-N'-butyl-N'-methyl-N-propylpropane-1,3-diamine (CID 82776155) is 1-(4-bromo-2-chlorophenyl)-N'-butyl-N'-methyl-N-propylpropane-1,3-diamine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-N'-butyl-N'-methyl-N-propylpropane-1,3-diamine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-N'-butyl-N'-methyl-N-propylpropane-1,3-diamine is CCCCN(C)CCC(NCCC)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-N'-butyl-N'-methyl-N-propylpropane-1,3-diamine?
The InChIKey is GPWPKUAAKCCRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrClN2/c1-4-6-11-21(3)12-9-17(20-10-5-2)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'-butyl-N'-methyl-N-propylpropane-1,3-diamine?
1-(4-bromo-2-chlorophenyl)-N'-butyl-N'-methyl-N-propylpropane-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'-butyl-N'-methyl-N-propylpropane-1,3-diamine is sourced from PubChem (CID 82776155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).