N-[3-(4-bromo-3-fluorophenoxy)-2,2-dimethylpropyl]cyclopropanamine

C14H19BrFNO — CID 79626291

IUPACN-[3-(4-bromo-3-fluorophenoxy)-2,2-dimethylpropyl]cyclopropanamine
SMILESCC(C)(CNC1CC1)COc1ccc(Br)c(F)c1
InChIInChI=1S/C14H19BrFNO/c1-14(2,8-17-10-3-4-10)9-18-11-5-6-12(15)13(16)7-11/h5-7,10,17H,3-4,8-9H2,1-2H3
InChIKeyIDORJXHAVCWOOR-UHFFFAOYSA-N
MW316.21 g/mol
LogP3.75
Rot. Bonds6

About N-[3-(4-bromo-3-fluorophenoxy)-2,2-dimethylpropyl]cyclopropanamine

N-[3-(4-bromo-3-fluorophenoxy)-2,2-dimethylpropyl]cyclopropanamine (PubChem CID 79626291) has the molecular formula C14H19BrFNO and a molecular weight of 316.21 g/mol. Its IUPAC name is N-[3-(4-bromo-3-fluorophenoxy)-2,2-dimethylpropyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(4-bromo-3-fluorophenoxy)-2,2-dimethylpropyl]cyclopropanamine
PubChem CID79626291
Molecular FormulaC14H19BrFNO
Molecular Weight316.21 g/mol
Exact Mass315.06
IUPAC NameN-[3-(4-bromo-3-fluorophenoxy)-2,2-dimethylpropyl]cyclopropanamine
SMILESCC(C)(CNC1CC1)COc1ccc(Br)c(F)c1
InChIInChI=1S/C14H19BrFNO/c1-14(2,8-17-10-3-4-10)9-18-11-5-6-12(15)13(16)7-11/h5-7,10,17H,3-4,8-9H2,1-2H3
InChIKeyIDORJXHAVCWOOR-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromo-3-fluorophenoxy)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 79626121
N-[2-(4-bromo-3-fluorophenoxy)ethyl]cyclopropanamine
CID 65201328
N-[3-(4-ethoxyphenoxy)-2,2-dimethylpropyl]cyclopropanamine
CID 79627900
N-[2-(4-bromo-3-fluorophenoxy)ethyl]-4-methylcyclohexan-1-amine
CID 65200968
N-[6-(4-bromo-3-fluorophenoxy)hexyl]cyclopropanamine
CID 65201532
N-[3-(3-ethylphenoxy)-2,2-dimethylpropyl]cyclopropanamine
CID 79628392
N-[3-(2-bromophenoxy)-2,2-dimethylpropyl]cyclopropanamine
CID 79627719
N-[2,2-dimethyl-3-(4-phenylmethoxyphenoxy)propyl]cyclopropanamine
CID 113249331
N-[2-(4-bromo-3-fluorophenoxy)propyl]cyclopentanamine
CID 65201303
(2R)-3-(4-bromo-3-fluorophenoxy)-2-methylpropane-1,2-diol
CID 129250594
N-(2,2-dimethyl-3-pyridin-3-yloxypropyl)cyclopropanamine
CID 79628763
N-[2-(4-bromo-3-fluorophenoxy)propyl]cyclohexanamine
CID 65201068

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromo-3-fluorophenoxy)-2,2-dimethylpropyl]cyclopropanamine?
The IUPAC name of N-[3-(4-bromo-3-fluorophenoxy)-2,2-dimethylpropyl]cyclopropanamine (CID 79626291) is N-[3-(4-bromo-3-fluorophenoxy)-2,2-dimethylpropyl]cyclopropanamine.
What is the SMILES notation for N-[3-(4-bromo-3-fluorophenoxy)-2,2-dimethylpropyl]cyclopropanamine?
The canonical SMILES for N-[3-(4-bromo-3-fluorophenoxy)-2,2-dimethylpropyl]cyclopropanamine is CC(C)(CNC1CC1)COc1ccc(Br)c(F)c1.
What is the InChIKey of N-[3-(4-bromo-3-fluorophenoxy)-2,2-dimethylpropyl]cyclopropanamine?
The InChIKey is IDORJXHAVCWOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO/c1-14(2,8-17-10-3-4-10)9-18-11-5-6-12(15)13(16)7-11/h5-7,10,17H,3-4,8-9H2,1-2H3.
What are the key properties of N-[3-(4-bromo-3-fluorophenoxy)-2,2-dimethylpropyl]cyclopropanamine?
N-[3-(4-bromo-3-fluorophenoxy)-2,2-dimethylpropyl]cyclopropanamine has a molecular weight of 316.21 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromo-3-fluorophenoxy)-2,2-dimethylpropyl]cyclopropanamine is sourced from PubChem (CID 79626291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).