(2,4-dibromophenyl)-(2-phenylcyclopropyl)methanamine

C16H15Br2N — CID 107946944

IUPAC(2,4-dibromophenyl)-(2-phenylcyclopropyl)methanamine
SMILESNC(c1ccc(Br)cc1Br)C1CC1c1ccccc1
InChIInChI=1S/C16H15Br2N/c17-11-6-7-12(15(18)8-11)16(19)14-9-13(14)10-4-2-1-3-5-10/h1-8,13-14,16H,9,19H2
InChIKeyGIQUMPRKLPUVBD-UHFFFAOYSA-N
MW381.11 g/mol
LogP5.02
Rot. Bonds3

About (2,4-dibromophenyl)-(2-phenylcyclopropyl)methanamine

(2,4-dibromophenyl)-(2-phenylcyclopropyl)methanamine (PubChem CID 107946944) has the molecular formula C16H15Br2N and a molecular weight of 381.11 g/mol. Its IUPAC name is (2,4-dibromophenyl)-(2-phenylcyclopropyl)methanamine.

Molecular Properties

Compound Name(2,4-dibromophenyl)-(2-phenylcyclopropyl)methanamine
PubChem CID107946944
Molecular FormulaC16H15Br2N
Molecular Weight381.11 g/mol
Exact Mass378.96
IUPAC Name(2,4-dibromophenyl)-(2-phenylcyclopropyl)methanamine
SMILESNC(c1ccc(Br)cc1Br)C1CC1c1ccccc1
InChIInChI=1S/C16H15Br2N/c17-11-6-7-12(15(18)8-11)16(19)14-9-13(14)10-4-2-1-3-5-10/h1-8,13-14,16H,9,19H2
InChIKeyGIQUMPRKLPUVBD-UHFFFAOYSA-N
XLogP5.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.11
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromo-2-chlorophenyl)-(2-phenylcyclopropyl)methanamine
CID 105052562
(2-bromo-4-fluorophenyl)-(2-phenylcyclopropyl)methanamine
CID 105052652
(2-bromophenyl)-[(1R,2S)-2-phenylcyclopropyl]methanamine
CID 138039926
(3-bromo-2-fluorophenyl)-(2-phenylcyclopropyl)methanamine
CID 106648123
(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
1-[(1R,2S)-2-phenylcyclopropyl]ethanamine
CID 57373127
[2-(4-bromo-2-chlorophenyl)-1-(2-phenylcyclopropyl)ethyl]hydrazine
CID 105335247
[(3-bromo-2-chlorophenyl)-(2-phenylcyclopropyl)methyl]hydrazine
CID 105341539
1-(2-phenylcyclopropyl)propan-1-amine
CID 116517334
[(4-bromo-3-methylphenyl)-(2-phenylcyclopropyl)methyl]hydrazine
CID 105341455

Frequently Asked Questions

What is the IUPAC name of (2,4-dibromophenyl)-(2-phenylcyclopropyl)methanamine?
The IUPAC name of (2,4-dibromophenyl)-(2-phenylcyclopropyl)methanamine (CID 107946944) is (2,4-dibromophenyl)-(2-phenylcyclopropyl)methanamine.
What is the SMILES notation for (2,4-dibromophenyl)-(2-phenylcyclopropyl)methanamine?
The canonical SMILES for (2,4-dibromophenyl)-(2-phenylcyclopropyl)methanamine is NC(c1ccc(Br)cc1Br)C1CC1c1ccccc1.
What is the InChIKey of (2,4-dibromophenyl)-(2-phenylcyclopropyl)methanamine?
The InChIKey is GIQUMPRKLPUVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2N/c17-11-6-7-12(15(18)8-11)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 (2,4-dibromophenyl)-(2-phenylcyclopropyl)methanamine?
(2,4-dibromophenyl)-(2-phenylcyclopropyl)methanamine has a molecular weight of 381.11 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dibromophenyl)-(2-phenylcyclopropyl)methanamine is sourced from PubChem (CID 107946944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).