2-[(3-bromo-5-fluorophenyl)methyl]-N-ethylpentan-1-amine

C14H21BrFN — CID 79708937

IUPAC2-[(3-bromo-5-fluorophenyl)methyl]-N-ethylpentan-1-amine
SMILESCCCC(CNCC)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C14H21BrFN/c1-3-5-11(10-17-4-2)6-12-7-13(15)9-14(16)8-12/h7-9,11,17H,3-6,10H2,1-2H3
InChIKeyGIYFEVOAKPVMRJ-UHFFFAOYSA-N
MW302.23 g/mol
LogP4.16
Rot. Bonds7

About 2-[(3-bromo-5-fluorophenyl)methyl]-N-ethylpentan-1-amine

2-[(3-bromo-5-fluorophenyl)methyl]-N-ethylpentan-1-amine (PubChem CID 79708937) has the molecular formula C14H21BrFN and a molecular weight of 302.23 g/mol. Its IUPAC name is 2-[(3-bromo-5-fluorophenyl)methyl]-N-ethylpentan-1-amine.

Molecular Properties

Compound Name2-[(3-bromo-5-fluorophenyl)methyl]-N-ethylpentan-1-amine
PubChem CID79708937
Molecular FormulaC14H21BrFN
Molecular Weight302.23 g/mol
Exact Mass301.08
IUPAC Name2-[(3-bromo-5-fluorophenyl)methyl]-N-ethylpentan-1-amine
SMILESCCCC(CNCC)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C14H21BrFN/c1-3-5-11(10-17-4-2)6-12-7-13(15)9-14(16)8-12/h7-9,11,17H,3-6,10H2,1-2H3
InChIKeyGIYFEVOAKPVMRJ-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.23
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-bromo-5-fluorophenyl)methyl]-N-ethylbutan-1-amine
CID 79708448
2-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylpentan-1-amine
CID 79708447
2-[(3-bromo-5-fluorophenyl)methyl]-4-methyl-N-(2-methylpropyl)pentan-1-amine
CID 79708857
2-[(3,5-difluorophenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 105408036
2-[(3-bromophenyl)methyl]-N-ethylhexan-1-amine
CID 63523538
2-[(4-chloro-3-fluorophenyl)methyl]-N-ethylpentan-1-amine
CID 107897120
2-[(4-bromophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine
CID 63522958
2-[(2,4-difluorophenyl)methyl]-N-ethylpentan-1-amine
CID 62528521
2-[(3,5-difluorophenyl)methyl]pentan-1-ol
CID 105410780
1-bromo-3-(3-bromohexyl)-5-fluorobenzene
CID 79709491
3-(3-bromophenyl)-2-[(3-bromophenyl)methyl]-N-ethylpropan-1-amine
CID 63523539
1-(3-bromo-5-fluorophenyl)-3-ethylpentan-2-ol
CID 79703019

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-5-fluorophenyl)methyl]-N-ethylpentan-1-amine?
The IUPAC name of 2-[(3-bromo-5-fluorophenyl)methyl]-N-ethylpentan-1-amine (CID 79708937) is 2-[(3-bromo-5-fluorophenyl)methyl]-N-ethylpentan-1-amine.
What is the SMILES notation for 2-[(3-bromo-5-fluorophenyl)methyl]-N-ethylpentan-1-amine?
The canonical SMILES for 2-[(3-bromo-5-fluorophenyl)methyl]-N-ethylpentan-1-amine is CCCC(CNCC)Cc1cc(F)cc(Br)c1.
What is the InChIKey of 2-[(3-bromo-5-fluorophenyl)methyl]-N-ethylpentan-1-amine?
The InChIKey is GIYFEVOAKPVMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrFN/c1-3-5-11(10-17-4-2)6-12-7-13(15)9-14(16)8-12/h7-9,11,17H,3-6,10H2,1-2H3.
What are the key properties of 2-[(3-bromo-5-fluorophenyl)methyl]-N-ethylpentan-1-amine?
2-[(3-bromo-5-fluorophenyl)methyl]-N-ethylpentan-1-amine has a molecular weight of 302.23 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-5-fluorophenyl)methyl]-N-ethylpentan-1-amine is sourced from PubChem (CID 79708937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).