1-(3-bromo-5-fluorophenyl)-N,3-diethylheptan-2-amine

C17H27BrFN — CID 105015533

IUPAC1-(3-bromo-5-fluorophenyl)-N,3-diethylheptan-2-amine
SMILESCCCCC(CC)C(Cc1cc(F)cc(Br)c1)NCC
InChIInChI=1S/C17H27BrFN/c1-4-7-8-14(5-2)17(20-6-3)11-13-9-15(18)12-16(19)10-13/h9-10,12,14,17,20H,4-8,11H2,1-3H3
InChIKeyRRNMGZZJKZDDTH-UHFFFAOYSA-N
MW344.31 g/mol
LogP5.33
Rot. Bonds9

About 1-(3-bromo-5-fluorophenyl)-N,3-diethylheptan-2-amine

1-(3-bromo-5-fluorophenyl)-N,3-diethylheptan-2-amine (PubChem CID 105015533) has the molecular formula C17H27BrFN and a molecular weight of 344.31 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-N,3-diethylheptan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-N,3-diethylheptan-2-amine
PubChem CID105015533
Molecular FormulaC17H27BrFN
Molecular Weight344.31 g/mol
Exact Mass343.13
IUPAC Name1-(3-bromo-5-fluorophenyl)-N,3-diethylheptan-2-amine
SMILESCCCCC(CC)C(Cc1cc(F)cc(Br)c1)NCC
InChIInChI=1S/C17H27BrFN/c1-4-7-8-14(5-2)17(20-6-3)11-13-9-15(18)12-16(19)10-13/h9-10,12,14,17,20H,4-8,11H2,1-3H3
InChIKeyRRNMGZZJKZDDTH-UHFFFAOYSA-N
XLogP5.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.31
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-(3-bromo-5-fluorophenyl)-N-ethyl-2-methylhexan-3-amine
CID 79709529
1-(3-bromo-5-fluorophenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine
CID 79709055
1-(2-chloro-5-fluorophenyl)-N,3-diethylheptan-2-amine
CID 102622959
1-(3-bromo-5-fluorophenyl)-3-ethylpentan-2-ol
CID 79703019
[1-(3-bromophenyl)-3-ethylheptan-2-yl]hydrazine
CID 105284555
[1-(3-bromo-5-fluorophenyl)-3-methoxyhexan-2-yl]hydrazine
CID 105271702
3-[(3-bromo-5-fluorophenyl)methyl]pentan-2-ol
CID 79709487
1-(3-bromophenyl)-3-ethyl-N-methylheptan-2-amine
CID 63528117
1-(3,5-difluorophenyl)-N-ethyl-3-methylpentan-2-amine
CID 79444981
1-(3-bromo-5-fluorophenyl)-N,2-dimethylpentan-3-amine
CID 79702857
2-[(3-bromo-5-fluorophenyl)methyl]-N-ethylpentan-1-amine
CID 79708937
1-(3-bromo-5-fluorophenyl)-N-ethyl-3-propoxypropan-2-amine
CID 79709539

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-N,3-diethylheptan-2-amine?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-N,3-diethylheptan-2-amine (CID 105015533) is 1-(3-bromo-5-fluorophenyl)-N,3-diethylheptan-2-amine.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-N,3-diethylheptan-2-amine?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-N,3-diethylheptan-2-amine is CCCCC(CC)C(Cc1cc(F)cc(Br)c1)NCC.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-N,3-diethylheptan-2-amine?
The InChIKey is RRNMGZZJKZDDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrFN/c1-4-7-8-14(5-2)17(20-6-3)11-13-9-15(18)12-16(19)10-13/h9-10,12,14,17,20H,4-8,11H2,1-3H3.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-N,3-diethylheptan-2-amine?
1-(3-bromo-5-fluorophenyl)-N,3-diethylheptan-2-amine has a molecular weight of 344.31 g/mol, XLogP of 5.33, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluorophenyl)-N,3-diethylheptan-2-amine is sourced from PubChem (CID 105015533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).