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

C15H23BrFN — CID 63400302

IUPAC3-[(2-bromo-5-fluorophenyl)methyl]-N-propylpentan-2-amine
SMILESCCCNC(C)C(CC)Cc1cc(F)ccc1Br
InChIInChI=1S/C15H23BrFN/c1-4-8-18-11(3)12(5-2)9-13-10-14(17)6-7-15(13)16/h6-7,10-12,18H,4-5,8-9H2,1-3H3
InChIKeyQWOXQKLLVNZWRP-UHFFFAOYSA-N
MW316.26 g/mol
LogP4.55
Rot. Bonds7

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

3-[(2-bromo-5-fluorophenyl)methyl]-N-propylpentan-2-amine (PubChem CID 63400302) has the molecular formula C15H23BrFN and a molecular weight of 316.26 g/mol. Its IUPAC name is 3-[(2-bromo-5-fluorophenyl)methyl]-N-propylpentan-2-amine.

Molecular Properties

Compound Name3-[(2-bromo-5-fluorophenyl)methyl]-N-propylpentan-2-amine
PubChem CID63400302
Molecular FormulaC15H23BrFN
Molecular Weight316.26 g/mol
Exact Mass315.10
IUPAC Name3-[(2-bromo-5-fluorophenyl)methyl]-N-propylpentan-2-amine
SMILESCCCNC(C)C(CC)Cc1cc(F)ccc1Br
InChIInChI=1S/C15H23BrFN/c1-4-8-18-11(3)12(5-2)9-13-10-14(17)6-7-15(13)16/h6-7,10-12,18H,4-5,8-9H2,1-3H3
InChIKeyQWOXQKLLVNZWRP-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.26
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-bromo-5-fluorophenyl)-3-methyl-N-propylbutan-2-amine
CID 54891354
3-[(4-fluorophenyl)methyl]-N-propylpentan-2-amine
CID 54896932
3-[(2,3-difluorophenyl)methyl]-N-propylpentan-2-amine
CID 54896930
N-[2-(2-bromo-5-fluorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine
CID 65419774
N-[2-(2-bromo-5-fluorophenyl)-1-(4-iodophenyl)ethyl]propan-1-amine
CID 115843853
1-(2-bromo-5-fluorophenyl)-3-ethoxy-3-methyl-N-propylbutan-2-amine
CID 116727031
1-(2-bromo-5-fluorophenyl)-N-propyl-3-pyridin-4-ylpropan-2-amine
CID 62605292
1-(2-bromo-5-fluorophenyl)-N,4-dimethylhexan-2-amine
CID 115843650
N-[1-[1-[(2-bromo-5-fluorophenyl)methyl]cyclopropyl]ethyl]propan-1-amine
CID 106798000
3-[(2-bromo-4-nitrophenyl)methyl]-N-propylpentan-2-amine
CID 60999532
1-(2-bromo-4-fluorophenyl)-N-propylbutan-2-amine
CID 62601157
3-[(2-chlorophenyl)methyl]-N-propylpentan-2-amine
CID 54897030

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-5-fluorophenyl)methyl]-N-propylpentan-2-amine?
The IUPAC name of 3-[(2-bromo-5-fluorophenyl)methyl]-N-propylpentan-2-amine (CID 63400302) is 3-[(2-bromo-5-fluorophenyl)methyl]-N-propylpentan-2-amine.
What is the SMILES notation for 3-[(2-bromo-5-fluorophenyl)methyl]-N-propylpentan-2-amine?
The canonical SMILES for 3-[(2-bromo-5-fluorophenyl)methyl]-N-propylpentan-2-amine is CCCNC(C)C(CC)Cc1cc(F)ccc1Br.
What is the InChIKey of 3-[(2-bromo-5-fluorophenyl)methyl]-N-propylpentan-2-amine?
The InChIKey is QWOXQKLLVNZWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrFN/c1-4-8-18-11(3)12(5-2)9-13-10-14(17)6-7-15(13)16/h6-7,10-12,18H,4-5,8-9H2,1-3H3.
What are the key properties of 3-[(2-bromo-5-fluorophenyl)methyl]-N-propylpentan-2-amine?
3-[(2-bromo-5-fluorophenyl)methyl]-N-propylpentan-2-amine has a molecular weight of 316.26 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-5-fluorophenyl)methyl]-N-propylpentan-2-amine is sourced from PubChem (CID 63400302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).