1-(2-bromo-5-fluorophenyl)-3-ethyl-N-propylheptan-1-amine

C18H29BrFN — CID 115806713

IUPAC1-(2-bromo-5-fluorophenyl)-3-ethyl-N-propylheptan-1-amine
SMILESCCCCC(CC)CC(NCCC)c1cc(F)ccc1Br
InChIInChI=1S/C18H29BrFN/c1-4-7-8-14(6-3)12-18(21-11-5-2)16-13-15(20)9-10-17(16)19/h9-10,13-14,18,21H,4-8,11-12H2,1-3H3
InChIKeyARGBVMNYJYUENT-UHFFFAOYSA-N
MW358.34 g/mol
LogP6.24
Rot. Bonds10

About 1-(2-bromo-5-fluorophenyl)-3-ethyl-N-propylheptan-1-amine

1-(2-bromo-5-fluorophenyl)-3-ethyl-N-propylheptan-1-amine (PubChem CID 115806713) has the molecular formula C18H29BrFN and a molecular weight of 358.34 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-3-ethyl-N-propylheptan-1-amine.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-3-ethyl-N-propylheptan-1-amine
PubChem CID115806713
Molecular FormulaC18H29BrFN
Molecular Weight358.34 g/mol
Exact Mass357.15
IUPAC Name1-(2-bromo-5-fluorophenyl)-3-ethyl-N-propylheptan-1-amine
SMILESCCCCC(CC)CC(NCCC)c1cc(F)ccc1Br
InChIInChI=1S/C18H29BrFN/c1-4-7-8-14(6-3)12-18(21-11-5-2)16-13-15(20)9-10-17(16)19/h9-10,13-14,18,21H,4-8,11-12H2,1-3H3
InChIKeyARGBVMNYJYUENT-UHFFFAOYSA-N
XLogP6.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.34
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-5-methylphenyl)-3-ethyl-N-propylheptan-1-amine
CID 115806096
1-(2-bromophenyl)-3-ethyl-N-propylheptan-1-amine
CID 63415307
1-(2-bromo-5-fluorophenyl)-N-propylbutan-1-amine
CID 114982462
1-(2-bromo-4-fluorophenyl)-N,3-diethylheptan-1-amine
CID 115806017
1-(2,5-difluorophenyl)-3-ethyl-N-propylpentan-1-amine
CID 82922427
3-ethyl-1-(4-fluorophenyl)-N-propylheptan-1-amine
CID 63414460
3-ethyl-1-(5-fluoro-2-methylphenyl)-N-methylheptan-1-amine
CID 63416460
1-(2-bromo-5-methoxyphenyl)-N,3-diethylheptan-1-amine
CID 105102758
1-(2-bromo-5-fluorophenyl)-N-propylbut-3-en-1-amine
CID 115815047
1-(3-bromo-4-chlorophenyl)-3-ethyl-N-propylheptan-1-amine
CID 115567795
1-(2-bromo-5-fluorophenyl)-N-methylhexan-1-amine
CID 115837109
N-[1-(2-bromo-5-fluorophenyl)-2-(2-chlorophenyl)ethyl]propan-1-amine
CID 63529110

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-3-ethyl-N-propylheptan-1-amine?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-3-ethyl-N-propylheptan-1-amine (CID 115806713) is 1-(2-bromo-5-fluorophenyl)-3-ethyl-N-propylheptan-1-amine.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-3-ethyl-N-propylheptan-1-amine?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-3-ethyl-N-propylheptan-1-amine is CCCCC(CC)CC(NCCC)c1cc(F)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-3-ethyl-N-propylheptan-1-amine?
The InChIKey is ARGBVMNYJYUENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29BrFN/c1-4-7-8-14(6-3)12-18(21-11-5-2)16-13-15(20)9-10-17(16)19/h9-10,13-14,18,21H,4-8,11-12H2,1-3H3.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-3-ethyl-N-propylheptan-1-amine?
1-(2-bromo-5-fluorophenyl)-3-ethyl-N-propylheptan-1-amine has a molecular weight of 358.34 g/mol, XLogP of 6.24, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-3-ethyl-N-propylheptan-1-amine is sourced from PubChem (CID 115806713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).