1-(4-bromo-2-chlorophenyl)-N'-cyclopropyl-N,N'-diethylpropane-1,3-diamine

C16H24BrClN2 — CID 82779676

IUPAC1-(4-bromo-2-chlorophenyl)-N'-cyclopropyl-N,N'-diethylpropane-1,3-diamine
SMILESCCNC(CCN(CC)C1CC1)c1ccc(Br)cc1Cl
InChIInChI=1S/C16H24BrClN2/c1-3-19-16(9-10-20(4-2)13-6-7-13)14-8-5-12(17)11-15(14)18/h5,8,11,13,16,19H,3-4,6-7,9-10H2,1-2H3
InChIKeyZUHZJFPFSDTEAF-UHFFFAOYSA-N
MW359.74 g/mol
LogP4.63
Rot. Bonds8

About 1-(4-bromo-2-chlorophenyl)-N'-cyclopropyl-N,N'-diethylpropane-1,3-diamine

1-(4-bromo-2-chlorophenyl)-N'-cyclopropyl-N,N'-diethylpropane-1,3-diamine (PubChem CID 82779676) has the molecular formula C16H24BrClN2 and a molecular weight of 359.74 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-N'-cyclopropyl-N,N'-diethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-N'-cyclopropyl-N,N'-diethylpropane-1,3-diamine
PubChem CID82779676
Molecular FormulaC16H24BrClN2
Molecular Weight359.74 g/mol
Exact Mass358.08
IUPAC Name1-(4-bromo-2-chlorophenyl)-N'-cyclopropyl-N,N'-diethylpropane-1,3-diamine
SMILESCCNC(CCN(CC)C1CC1)c1ccc(Br)cc1Cl
InChIInChI=1S/C16H24BrClN2/c1-3-19-16(9-10-20(4-2)13-6-7-13)14-8-5-12(17)11-15(14)18/h5,8,11,13,16,19H,3-4,6-7,9-10H2,1-2H3
InChIKeyZUHZJFPFSDTEAF-UHFFFAOYSA-N
XLogP4.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.74
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-chlorophenyl)-N'-cyclopropyl-N'-(cyclopropylmethyl)-N-methylpropane-1,3-diamine
CID 82776656
1-(4-bromo-2-chlorophenyl)-N-ethylbutan-1-amine
CID 114981819
1-(4-bromo-2-chlorophenyl)-2-cyclopropyl-N-ethylethanamine
CID 104986286
1-(4-bromo-2-chlorophenyl)-N-ethyl-N'-methyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine
CID 82776914
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-ethylpropan-1-amine
CID 114979228
2-[[3-(4-bromo-2-chlorophenyl)-3-(ethylamino)propyl]-propylamino]ethanol
CID 82775218
1-(4-bromo-2-chlorophenyl)-N'-cyclopropyl-N'-propylpropane-1,3-diamine
CID 82780047
1-(2-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 63495351
1-(2-chlorophenyl)-N'-cyclopropyl-N'-ethyl-N-methylpropane-1,3-diamine
CID 62644980
1-(4-bromo-2-chlorophenyl)-N'-ethyl-N,N'-dipropylpropane-1,3-diamine
CID 82777421
1-(4-bromo-2-chlorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 105023825

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-N'-cyclopropyl-N,N'-diethylpropane-1,3-diamine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-N'-cyclopropyl-N,N'-diethylpropane-1,3-diamine (CID 82779676) is 1-(4-bromo-2-chlorophenyl)-N'-cyclopropyl-N,N'-diethylpropane-1,3-diamine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-N'-cyclopropyl-N,N'-diethylpropane-1,3-diamine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-N'-cyclopropyl-N,N'-diethylpropane-1,3-diamine is CCNC(CCN(CC)C1CC1)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-N'-cyclopropyl-N,N'-diethylpropane-1,3-diamine?
The InChIKey is ZUHZJFPFSDTEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrClN2/c1-3-19-16(9-10-20(4-2)13-6-7-13)14-8-5-12(17)11-15(14)18/h5,8,11,13,16,19H,3-4,6-7,9-10H2,1-2H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-N'-cyclopropyl-N,N'-diethylpropane-1,3-diamine?
1-(4-bromo-2-chlorophenyl)-N'-cyclopropyl-N,N'-diethylpropane-1,3-diamine has a molecular weight of 359.74 g/mol, XLogP of 4.63, 8 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'-cyclopropyl-N,N'-diethylpropane-1,3-diamine is sourced from PubChem (CID 82779676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).