N-[[1-[(2-bromo-4-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine

C15H21BrFN — CID 66026264

IUPACN-[[1-[(2-bromo-4-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(Cc2ccc(F)cc2Br)CC1
InChIInChI=1S/C15H21BrFN/c1-11(2)9-18-10-15(5-6-15)8-12-3-4-13(17)7-14(12)16/h3-4,7,11,18H,5-6,8-10H2,1-2H3
InChIKeyFNDZCKDMKZUAMV-UHFFFAOYSA-N
MW314.24 g/mol
LogP4.16
Rot. Bonds6

About N-[[1-[(2-bromo-4-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine

N-[[1-[(2-bromo-4-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine (PubChem CID 66026264) has the molecular formula C15H21BrFN and a molecular weight of 314.24 g/mol. Its IUPAC name is N-[[1-[(2-bromo-4-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-[(2-bromo-4-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
PubChem CID66026264
Molecular FormulaC15H21BrFN
Molecular Weight314.24 g/mol
Exact Mass313.08
IUPAC NameN-[[1-[(2-bromo-4-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(Cc2ccc(F)cc2Br)CC1
InChIInChI=1S/C15H21BrFN/c1-11(2)9-18-10-15(5-6-15)8-12-3-4-13(17)7-14(12)16/h3-4,7,11,18H,5-6,8-10H2,1-2H3
InChIKeyFNDZCKDMKZUAMV-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-[(2-bromo-4-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 65194197
N-[[1-[(2-chloro-4-fluorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
CID 63507856
N-[[1-[(3-bromo-5-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
CID 79709667
1-[4-[(2-bromo-4-fluorophenyl)methyl]oxan-4-yl]-N-methylmethanamine
CID 62906086
N-[[1-[(2,3-difluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
CID 66024265
N-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine
CID 65196016
1-(2-bromo-4-fluorophenyl)-N-[[1-(chloromethyl)cyclopropyl]methyl]methanamine
CID 115455628
N-[[1-[(2,5-dimethylphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
CID 66026917
N-[[1-[(2-bromo-5-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 65194817
N-[[3-[(5-fluoro-2-methylphenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 105374959
N-[[1-[(4-fluoro-2-methylphenyl)methyl]cyclopropyl]methyl]ethanamine
CID 114348910
N-[[1-[(2-methoxyphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
CID 66025587

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-bromo-4-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-[(2-bromo-4-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine (CID 66026264) is N-[[1-[(2-bromo-4-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-[(2-bromo-4-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-[(2-bromo-4-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1(Cc2ccc(F)cc2Br)CC1.
What is the InChIKey of N-[[1-[(2-bromo-4-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine?
The InChIKey is FNDZCKDMKZUAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFN/c1-11(2)9-18-10-15(5-6-15)8-12-3-4-13(17)7-14(12)16/h3-4,7,11,18H,5-6,8-10H2,1-2H3.
What are the key properties of N-[[1-[(2-bromo-4-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine?
N-[[1-[(2-bromo-4-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-[(2-bromo-4-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 66026264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).