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

C15H21BrFN — CID 79709667

IUPACN-[[1-[(3-bromo-5-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(Cc2cc(F)cc(Br)c2)CC1
InChIInChI=1S/C15H21BrFN/c1-11(2)9-18-10-15(3-4-15)8-12-5-13(16)7-14(17)6-12/h5-7,11,18H,3-4,8-10H2,1-2H3
InChIKeyFLCJDXVXKLFJKM-UHFFFAOYSA-N
MW314.24 g/mol
LogP4.16
Rot. Bonds6

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

N-[[1-[(3-bromo-5-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine (PubChem CID 79709667) has the molecular formula C15H21BrFN and a molecular weight of 314.24 g/mol. Its IUPAC name is N-[[1-[(3-bromo-5-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-[(3-bromo-5-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
PubChem CID79709667
Molecular FormulaC15H21BrFN
Molecular Weight314.24 g/mol
Exact Mass313.08
IUPAC NameN-[[1-[(3-bromo-5-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(Cc2cc(F)cc(Br)c2)CC1
InChIInChI=1S/C15H21BrFN/c1-11(2)9-18-10-15(3-4-15)8-12-5-13(16)7-14(17)6-12/h5-7,11,18H,3-4,8-10H2,1-2H3
InChIKeyFLCJDXVXKLFJKM-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.24
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-[(3-bromo-5-fluorophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine
CID 79697362
N-[[4-[(3-bromo-5-fluorophenyl)methyl]oxan-4-yl]methyl]ethanamine
CID 79709588
N-[[1-[(2-bromo-4-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
CID 66026264
N-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine
CID 65196016
N-[3-(3-bromo-5-fluorophenyl)propyl]-2-methylpropan-1-amine
CID 79709252
4-(3-bromo-5-fluorophenyl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81017251
2-[(3-bromo-5-fluorophenyl)methyl]-4-methyl-N-(2-methylpropyl)pentan-1-amine
CID 79708857
1-[(3-bromo-5-fluorophenyl)methyl]cyclopropan-1-amine
CID 79711556
N-[[1-[(3-bromo-4-methoxyphenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
CID 63508719
N-[[1-[(4-chlorophenyl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine
CID 65196271
2-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylpentan-1-amine
CID 79708447
1-[(3-bromo-5-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-ol
CID 79701739

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-bromo-5-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-[(3-bromo-5-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine (CID 79709667) is N-[[1-[(3-bromo-5-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-[(3-bromo-5-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-[(3-bromo-5-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1(Cc2cc(F)cc(Br)c2)CC1.
What is the InChIKey of N-[[1-[(3-bromo-5-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine?
The InChIKey is FLCJDXVXKLFJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFN/c1-11(2)9-18-10-15(3-4-15)8-12-5-13(16)7-14(17)6-12/h5-7,11,18H,3-4,8-10H2,1-2H3.
What are the key properties of N-[[1-[(3-bromo-5-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine?
N-[[1-[(3-bromo-5-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine has a molecular weight of 314.24 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-bromo-5-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 79709667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).