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

C16H15BrFN — CID 106648123

IUPAC(3-bromo-2-fluorophenyl)-(2-phenylcyclopropyl)methanamine
SMILESNC(c1cccc(Br)c1F)C1CC1c1ccccc1
InChIInChI=1S/C16H15BrFN/c17-14-8-4-7-11(15(14)18)16(19)13-9-12(13)10-5-2-1-3-6-10/h1-8,12-13,16H,9,19H2
InChIKeyYPNVLAYABQNDNO-UHFFFAOYSA-N
MW320.21 g/mol
LogP4.39
Rot. Bonds3

About (3-bromo-2-fluorophenyl)-(2-phenylcyclopropyl)methanamine

(3-bromo-2-fluorophenyl)-(2-phenylcyclopropyl)methanamine (PubChem CID 106648123) has the molecular formula C16H15BrFN and a molecular weight of 320.21 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-(2-phenylcyclopropyl)methanamine.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-(2-phenylcyclopropyl)methanamine
PubChem CID106648123
Molecular FormulaC16H15BrFN
Molecular Weight320.21 g/mol
Exact Mass319.04
IUPAC Name(3-bromo-2-fluorophenyl)-(2-phenylcyclopropyl)methanamine
SMILESNC(c1cccc(Br)c1F)C1CC1c1ccccc1
InChIInChI=1S/C16H15BrFN/c17-14-8-4-7-11(15(14)18)16(19)13-9-12(13)10-5-2-1-3-6-10/h1-8,12-13,16H,9,19H2
InChIKeyYPNVLAYABQNDNO-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-bromophenyl)-[(1R,2S)-2-phenylcyclopropyl]methanamine
CID 138039926
(2-bromo-4-fluorophenyl)-(2-phenylcyclopropyl)methanamine
CID 105052652
(2-chlorophenyl)-(2-phenylcyclopropyl)methanamine;hydrochloride
CID 138040827
[(3-bromo-2-chlorophenyl)-(2-phenylcyclopropyl)methyl]hydrazine
CID 105341539
(3-bromo-2-fluorophenyl)-cyclobutylmethanamine
CID 103693583
(5-bromothiophen-3-yl)-(2-phenylcyclopropyl)methanamine
CID 105189029
(2-phenylcyclopropyl)-(2-propan-2-yloxyphenyl)methanamine
CID 105018334
(3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methanamine
CID 106645707
[(3-bromo-2-methylphenyl)-(2-phenylcyclopropyl)methyl]hydrazine
CID 105341547
[(2-chloro-3-fluorophenyl)-(2-phenylcyclopropyl)methyl]hydrazine
CID 105341508
2-(2-bromophenyl)-2-(2-phenylcyclopropyl)acetic acid
CID 116516668
(3-bromo-2-fluorophenyl)-(thiolan-2-yl)methanamine
CID 106645947

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-(2-phenylcyclopropyl)methanamine?
The IUPAC name of (3-bromo-2-fluorophenyl)-(2-phenylcyclopropyl)methanamine (CID 106648123) is (3-bromo-2-fluorophenyl)-(2-phenylcyclopropyl)methanamine.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-(2-phenylcyclopropyl)methanamine?
The canonical SMILES for (3-bromo-2-fluorophenyl)-(2-phenylcyclopropyl)methanamine is NC(c1cccc(Br)c1F)C1CC1c1ccccc1.
What is the InChIKey of (3-bromo-2-fluorophenyl)-(2-phenylcyclopropyl)methanamine?
The InChIKey is YPNVLAYABQNDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFN/c17-14-8-4-7-11(15(14)18)16(19)13-9-12(13)10-5-2-1-3-6-10/h1-8,12-13,16H,9,19H2.
What are the key properties of (3-bromo-2-fluorophenyl)-(2-phenylcyclopropyl)methanamine?
(3-bromo-2-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 (3-bromo-2-fluorophenyl)-(2-phenylcyclopropyl)methanamine is sourced from PubChem (CID 106648123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).