(2-bromo-5-fluorophenyl)-cyclopropylmethanamine

C10H11BrFN — CID 71743656

IUPAC(2-bromo-5-fluorophenyl)-cyclopropylmethanamine
SMILESNC(c1cc(F)ccc1Br)C1CC1
InChIInChI=1S/C10H11BrFN/c11-9-4-3-7(12)5-8(9)10(13)6-1-2-6/h3-6,10H,1-2,13H2
InChIKeyUKRNRVQCTBHXJA-UHFFFAOYSA-N
MW244.11 g/mol
LogP3.00
Rot. Bonds2

About (2-bromo-5-fluorophenyl)-cyclopropylmethanamine

(2-bromo-5-fluorophenyl)-cyclopropylmethanamine (PubChem CID 71743656) has the molecular formula C10H11BrFN and a molecular weight of 244.11 g/mol. Its IUPAC name is (2-bromo-5-fluorophenyl)-cyclopropylmethanamine.

Molecular Properties

Compound Name(2-bromo-5-fluorophenyl)-cyclopropylmethanamine
PubChem CID71743656
Molecular FormulaC10H11BrFN
Molecular Weight244.11 g/mol
Exact Mass243.01
IUPAC Name(2-bromo-5-fluorophenyl)-cyclopropylmethanamine
SMILESNC(c1cc(F)ccc1Br)C1CC1
InChIInChI=1S/C10H11BrFN/c11-9-4-3-7(12)5-8(9)10(13)6-1-2-6/h3-6,10H,1-2,13H2
InChIKeyUKRNRVQCTBHXJA-UHFFFAOYSA-N
XLogP3.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.11
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-(2-bromo-5-fluorophenyl)-piperidin-4-ylmethanamine
CID 171314252
(R)-(2-bromo-4-fluorophenyl)-cyclopropylmethanamine
CID 97290671
(R)-(2-bromo-5-chlorophenyl)-cyclopropylmethanamine
CID 97290672
(R)-(2-bromo-4-fluorophenyl)-piperidin-4-ylmethanamine
CID 171314194
(2-bromo-5-fluorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 105016281
(R)-cyclopropyl-(2-ethyl-5-fluorophenyl)methanamine
CID 131122532
(R)-(2-bromo-5-methoxyphenyl)-cyclopropylmethanamine
CID 130690671
(S)-(2-chloro-5-fluorophenyl)-cyclopentylmethanamine
CID 131512229
cyclooctyl-(2,5-dibromophenyl)methanamine
CID 65018447
(S)-cyclopropyl-(4-fluoro-2-methoxyphenyl)methanamine;hydrochloride
CID 171224902
1-(2-bromo-5-fluorophenyl)ethanamine
CID 83350018
(S)-(2-bromo-4-fluoro-5-methylphenyl)-cyclopropylmethanamine
CID 131080956

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-fluorophenyl)-cyclopropylmethanamine?
The IUPAC name of (2-bromo-5-fluorophenyl)-cyclopropylmethanamine (CID 71743656) is (2-bromo-5-fluorophenyl)-cyclopropylmethanamine.
What is the SMILES notation for (2-bromo-5-fluorophenyl)-cyclopropylmethanamine?
The canonical SMILES for (2-bromo-5-fluorophenyl)-cyclopropylmethanamine is NC(c1cc(F)ccc1Br)C1CC1.
What is the InChIKey of (2-bromo-5-fluorophenyl)-cyclopropylmethanamine?
The InChIKey is UKRNRVQCTBHXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFN/c11-9-4-3-7(12)5-8(9)10(13)6-1-2-6/h3-6,10H,1-2,13H2.
What are the key properties of (2-bromo-5-fluorophenyl)-cyclopropylmethanamine?
(2-bromo-5-fluorophenyl)-cyclopropylmethanamine has a molecular weight of 244.11 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-fluorophenyl)-cyclopropylmethanamine is sourced from PubChem (CID 71743656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).