1-(2-bromo-5-chlorophenyl)-N,3-diethylpentan-1-amine

C15H23BrClN — CID 114027172

IUPAC1-(2-bromo-5-chlorophenyl)-N,3-diethylpentan-1-amine
SMILESCCNC(CC(CC)CC)c1cc(Cl)ccc1Br
InChIInChI=1S/C15H23BrClN/c1-4-11(5-2)9-15(18-6-3)13-10-12(17)7-8-14(13)16/h7-8,10-11,15,18H,4-6,9H2,1-3H3
InChIKeyNVESCUSVJWUFJP-UHFFFAOYSA-N
MW332.71 g/mol
LogP5.58
Rot. Bonds7

About 1-(2-bromo-5-chlorophenyl)-N,3-diethylpentan-1-amine

1-(2-bromo-5-chlorophenyl)-N,3-diethylpentan-1-amine (PubChem CID 114027172) has the molecular formula C15H23BrClN and a molecular weight of 332.71 g/mol. Its IUPAC name is 1-(2-bromo-5-chlorophenyl)-N,3-diethylpentan-1-amine.

Molecular Properties

Compound Name1-(2-bromo-5-chlorophenyl)-N,3-diethylpentan-1-amine
PubChem CID114027172
Molecular FormulaC15H23BrClN
Molecular Weight332.71 g/mol
Exact Mass331.07
IUPAC Name1-(2-bromo-5-chlorophenyl)-N,3-diethylpentan-1-amine
SMILESCCNC(CC(CC)CC)c1cc(Cl)ccc1Br
InChIInChI=1S/C15H23BrClN/c1-4-11(5-2)9-15(18-6-3)13-10-12(17)7-8-14(13)16/h7-8,10-11,15,18H,4-6,9H2,1-3H3
InChIKeyNVESCUSVJWUFJP-UHFFFAOYSA-N
XLogP5.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.71
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-N,3-diethylpentan-1-amine
CID 105028250
1-(2-bromo-4-chlorophenyl)-N-ethylpropan-1-amine
CID 107991741
1-(3-bromo-4-fluorophenyl)-N,3-diethylpentan-1-amine
CID 82922197
1-(2-bromo-5-chlorophenyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 114027019
1-(2-bromo-5-methoxyphenyl)-N,3-diethylheptan-1-amine
CID 105102758
1-(2,5-dibromophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine
CID 115863189
1-(5-chloro-2-fluorophenyl)-N-ethylpropan-1-amine
CID 114886330
1-(2,5-dichlorophenyl)-N-ethyl-3-methylbutan-1-amine
CID 43492979
1-(5-bromo-2-fluorophenyl)-N,3-diethylheptan-1-amine
CID 114894944
1-(2,4-dimethylphenyl)-N,3-diethylpentan-1-amine
CID 105028376
2-(2-bromo-5-chlorophenyl)-2-(2-methylpropylamino)ethanol
CID 66156487
1-(2,5-dichlorophenyl)-3-ethylpentan-1-amine
CID 105028229

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-chlorophenyl)-N,3-diethylpentan-1-amine?
The IUPAC name of 1-(2-bromo-5-chlorophenyl)-N,3-diethylpentan-1-amine (CID 114027172) is 1-(2-bromo-5-chlorophenyl)-N,3-diethylpentan-1-amine.
What is the SMILES notation for 1-(2-bromo-5-chlorophenyl)-N,3-diethylpentan-1-amine?
The canonical SMILES for 1-(2-bromo-5-chlorophenyl)-N,3-diethylpentan-1-amine is CCNC(CC(CC)CC)c1cc(Cl)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-chlorophenyl)-N,3-diethylpentan-1-amine?
The InChIKey is NVESCUSVJWUFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrClN/c1-4-11(5-2)9-15(18-6-3)13-10-12(17)7-8-14(13)16/h7-8,10-11,15,18H,4-6,9H2,1-3H3.
What are the key properties of 1-(2-bromo-5-chlorophenyl)-N,3-diethylpentan-1-amine?
1-(2-bromo-5-chlorophenyl)-N,3-diethylpentan-1-amine has a molecular weight of 332.71 g/mol, XLogP of 5.58, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-chlorophenyl)-N,3-diethylpentan-1-amine is sourced from PubChem (CID 114027172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).