2-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylpentan-1-amine

C15H23BrFN — CID 79708447

IUPAC2-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylpentan-1-amine
SMILESCCNCC(Cc1cc(F)cc(Br)c1)CC(C)C
InChIInChI=1S/C15H23BrFN/c1-4-18-10-13(5-11(2)3)6-12-7-14(16)9-15(17)8-12/h7-9,11,13,18H,4-6,10H2,1-3H3
InChIKeyGVJMHOZMLQORHS-UHFFFAOYSA-N
MW316.26 g/mol
LogP4.40
Rot. Bonds7

About 2-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylpentan-1-amine

2-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylpentan-1-amine (PubChem CID 79708447) has the molecular formula C15H23BrFN and a molecular weight of 316.26 g/mol. Its IUPAC name is 2-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylpentan-1-amine.

Molecular Properties

Compound Name2-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylpentan-1-amine
PubChem CID79708447
Molecular FormulaC15H23BrFN
Molecular Weight316.26 g/mol
Exact Mass315.10
IUPAC Name2-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylpentan-1-amine
SMILESCCNCC(Cc1cc(F)cc(Br)c1)CC(C)C
InChIInChI=1S/C15H23BrFN/c1-4-18-10-13(5-11(2)3)6-12-7-14(16)9-15(17)8-12/h7-9,11,13,18H,4-6,10H2,1-3H3
InChIKeyGVJMHOZMLQORHS-UHFFFAOYSA-N
XLogP4.40
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 ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-bromo-5-fluorophenyl)methyl]-4-methyl-N-(2-methylpropyl)pentan-1-amine
CID 79708857
2-[(3-bromo-5-fluorophenyl)methyl]-N-ethylbutan-1-amine
CID 79708448
2-[(3-bromo-5-fluorophenyl)methyl]-N-ethylpentan-1-amine
CID 79708937
N-[2-[(3-bromo-5-fluorophenyl)methyl]-4-methylpentyl]cyclopropanamine
CID 79708694
2-[(3,5-difluorophenyl)methyl]-4-methyl-N-propylpentan-1-amine
CID 105408024
1-(3-bromo-5-fluorophenyl)-4-methyl-N-propylpentan-2-amine
CID 79709200
4-(3-bromo-5-fluorophenyl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81017251
2-[(4-bromophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine
CID 63522958
1-(3-bromo-5-fluorophenyl)-N,2-dimethylpentan-3-amine
CID 79702857
2-[(3,5-difluorophenyl)methyl]-4-methylpentan-1-ol
CID 105410776
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-ethyl-4-methylpentan-1-amine?
The IUPAC name of 2-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylpentan-1-amine (CID 79708447) is 2-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylpentan-1-amine.
What is the SMILES notation for 2-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylpentan-1-amine?
The canonical SMILES for 2-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylpentan-1-amine is CCNCC(Cc1cc(F)cc(Br)c1)CC(C)C.
What is the InChIKey of 2-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylpentan-1-amine?
The InChIKey is GVJMHOZMLQORHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrFN/c1-4-18-10-13(5-11(2)3)6-12-7-14(16)9-15(17)8-12/h7-9,11,13,18H,4-6,10H2,1-3H3.
What are the key properties of 2-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylpentan-1-amine?
2-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylpentan-1-amine has a molecular weight of 316.26 g/mol, XLogP of 4.40, 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-ethyl-4-methylpentan-1-amine is sourced from PubChem (CID 79708447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).