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

C14H19BrFN — CID 114078028

IUPACN-[[2-(2-bromo-5-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CC1c1cc(F)ccc1Br
InChIInChI=1S/C14H19BrFN/c1-9(2)7-17-8-10-5-12(10)13-6-11(16)3-4-14(13)15/h3-4,6,9-10,12,17H,5,7-8H2,1-2H3
InChIKeyCTTVUBBHHWTOKC-UHFFFAOYSA-N
MW300.22 g/mol
LogP3.94
Rot. Bonds5

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

N-[[2-(2-bromo-5-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-1-amine (PubChem CID 114078028) has the molecular formula C14H19BrFN and a molecular weight of 300.22 g/mol. Its IUPAC name is N-[[2-(2-bromo-5-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-bromo-5-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
PubChem CID114078028
Molecular FormulaC14H19BrFN
Molecular Weight300.22 g/mol
Exact Mass299.07
IUPAC NameN-[[2-(2-bromo-5-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CC1c1cc(F)ccc1Br
InChIInChI=1S/C14H19BrFN/c1-9(2)7-17-8-10-5-12(10)13-6-11(16)3-4-14(13)15/h3-4,6,9-10,12,17H,5,7-8H2,1-2H3
InChIKeyCTTVUBBHHWTOKC-UHFFFAOYSA-N
XLogP3.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.22
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(4-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 62714240
N-[[2-(3-bromofuran-2-yl)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 106889346
N-[[2-(5-bromofuran-2-yl)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 62712454
N-[[2-(2,4-difluorophenyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 81028770
N-[[2-(2,5-difluorophenyl)cyclopropyl]methyl]propan-2-amine
CID 62708759
N-[(2-bromo-5-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 28566155
N-[[2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 62713350
2-methyl-N-[[2-[5-(2-methylcyclopropyl)furan-2-yl]cyclopropyl]methyl]propan-1-amine
CID 62712993
N-[[2-(4-ethylphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 62712268
N-[[2-(2,4-difluorophenyl)cyclopropyl]methyl]propan-2-amine
CID 62708395
N-[[2-(3-fluoro-4-methoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 65101606
N-[[2-(2,4-difluorophenyl)cyclopropyl]methyl]propan-1-amine
CID 62708173

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-bromo-5-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(2-bromo-5-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-1-amine (CID 114078028) is N-[[2-(2-bromo-5-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(2-bromo-5-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(2-bromo-5-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1CC1c1cc(F)ccc1Br.
What is the InChIKey of N-[[2-(2-bromo-5-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-1-amine?
The InChIKey is CTTVUBBHHWTOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFN/c1-9(2)7-17-8-10-5-12(10)13-6-11(16)3-4-14(13)15/h3-4,6,9-10,12,17H,5,7-8H2,1-2H3.
What are the key properties of N-[[2-(2-bromo-5-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-1-amine?
N-[[2-(2-bromo-5-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-1-amine has a molecular weight of 300.22 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-bromo-5-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 114078028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).