(2-bromo-4-fluorophenyl)-(2-phenylcyclopropyl)methanamine

C16H15BrFN — CID 105052652

IUPAC(2-bromo-4-fluorophenyl)-(2-phenylcyclopropyl)methanamine
SMILESNC(c1ccc(F)cc1Br)C1CC1c1ccccc1
InChIInChI=1S/C16H15BrFN/c17-15-8-11(18)6-7-12(15)16(19)14-9-13(14)10-4-2-1-3-5-10/h1-8,13-14,16H,9,19H2
InChIKeyDOOQAGIBHJOPBW-UHFFFAOYSA-N
MW320.21 g/mol
LogP4.39
Rot. Bonds3

About (2-bromo-4-fluorophenyl)-(2-phenylcyclopropyl)methanamine

(2-bromo-4-fluorophenyl)-(2-phenylcyclopropyl)methanamine (PubChem CID 105052652) has the molecular formula C16H15BrFN and a molecular weight of 320.21 g/mol. Its IUPAC name is (2-bromo-4-fluorophenyl)-(2-phenylcyclopropyl)methanamine.

Molecular Properties

Compound Name(2-bromo-4-fluorophenyl)-(2-phenylcyclopropyl)methanamine
PubChem CID105052652
Molecular FormulaC16H15BrFN
Molecular Weight320.21 g/mol
Exact Mass319.04
IUPAC Name(2-bromo-4-fluorophenyl)-(2-phenylcyclopropyl)methanamine
SMILESNC(c1ccc(F)cc1Br)C1CC1c1ccccc1
InChIInChI=1S/C16H15BrFN/c17-15-8-11(18)6-7-12(15)16(19)14-9-13(14)10-4-2-1-3-5-10/h1-8,13-14,16H,9,19H2
InChIKeyDOOQAGIBHJOPBW-UHFFFAOYSA-N
XLogP4.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,4-dibromophenyl)-(2-phenylcyclopropyl)methanamine
CID 107946944
(2-bromophenyl)-[(1R,2S)-2-phenylcyclopropyl]methanamine
CID 138039926
(3-bromo-2-fluorophenyl)-(2-phenylcyclopropyl)methanamine
CID 106648123
(4-bromo-2-chlorophenyl)-(2-phenylcyclopropyl)methanamine
CID 105052562
(R)-(2-bromo-4-fluorophenyl)-cyclopropylmethanamine
CID 97290671
(2-chlorophenyl)-(2-phenylcyclopropyl)methanamine;hydrochloride
CID 138040827
(5-bromothiophen-3-yl)-(2-phenylcyclopropyl)methanamine
CID 105189029
(2-phenylcyclopropyl)-(2-propan-2-yloxyphenyl)methanamine
CID 105018334
(R)-(2-bromo-4-fluorophenyl)-piperidin-4-ylmethanamine
CID 171314194
1-(2-bromo-4-fluorophenyl)-2,2,2-trifluoroethanamine
CID 51358639
(1R)-1-(2-bromo-4-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride
CID 171312209
1-[(1R,2S)-2-phenylcyclopropyl]ethanamine
CID 57373127

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-fluorophenyl)-(2-phenylcyclopropyl)methanamine?
The IUPAC name of (2-bromo-4-fluorophenyl)-(2-phenylcyclopropyl)methanamine (CID 105052652) is (2-bromo-4-fluorophenyl)-(2-phenylcyclopropyl)methanamine.
What is the SMILES notation for (2-bromo-4-fluorophenyl)-(2-phenylcyclopropyl)methanamine?
The canonical SMILES for (2-bromo-4-fluorophenyl)-(2-phenylcyclopropyl)methanamine is NC(c1ccc(F)cc1Br)C1CC1c1ccccc1.
What is the InChIKey of (2-bromo-4-fluorophenyl)-(2-phenylcyclopropyl)methanamine?
The InChIKey is DOOQAGIBHJOPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFN/c17-15-8-11(18)6-7-12(15)16(19)14-9-13(14)10-4-2-1-3-5-10/h1-8,13-14,16H,9,19H2.
What are the key properties of (2-bromo-4-fluorophenyl)-(2-phenylcyclopropyl)methanamine?
(2-bromo-4-fluorophenyl)-(2-phenylcyclopropyl)methanamine has a molecular weight of 320.21 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-fluorophenyl)-(2-phenylcyclopropyl)methanamine is sourced from PubChem (CID 105052652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).