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

C16H15BrClN — CID 105052562

IUPAC(4-bromo-2-chlorophenyl)-(2-phenylcyclopropyl)methanamine
SMILESNC(c1ccc(Br)cc1Cl)C1CC1c1ccccc1
InChIInChI=1S/C16H15BrClN/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
InChIKeyRIFAIOJURHFVDW-UHFFFAOYSA-N
MW336.66 g/mol
LogP4.91
Rot. Bonds3

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

(4-bromo-2-chlorophenyl)-(2-phenylcyclopropyl)methanamine (PubChem CID 105052562) has the molecular formula C16H15BrClN and a molecular weight of 336.66 g/mol. Its IUPAC name is (4-bromo-2-chlorophenyl)-(2-phenylcyclopropyl)methanamine.

Molecular Properties

Compound Name(4-bromo-2-chlorophenyl)-(2-phenylcyclopropyl)methanamine
PubChem CID105052562
Molecular FormulaC16H15BrClN
Molecular Weight336.66 g/mol
Exact Mass335.01
IUPAC Name(4-bromo-2-chlorophenyl)-(2-phenylcyclopropyl)methanamine
SMILESNC(c1ccc(Br)cc1Cl)C1CC1c1ccccc1
InChIInChI=1S/C16H15BrClN/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
InChIKeyRIFAIOJURHFVDW-UHFFFAOYSA-N
XLogP4.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.66
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,4-dibromophenyl)-(2-phenylcyclopropyl)methanamine
CID 107946944
(2-chlorophenyl)-(2-phenylcyclopropyl)methanamine;hydrochloride
CID 138040827
(2-bromophenyl)-[(1R,2S)-2-phenylcyclopropyl]methanamine
CID 138039926
(2-bromo-4-fluorophenyl)-(2-phenylcyclopropyl)methanamine
CID 105052652
[2-(4-bromo-2-chlorophenyl)-1-(2-phenylcyclopropyl)ethyl]hydrazine
CID 105335247
(S)-(4-bromo-2-chlorophenyl)-cyclopropylmethanamine
CID 130618338
(3-bromo-2-fluorophenyl)-(2-phenylcyclopropyl)methanamine
CID 106648123
(R)-(4-bromo-2-chlorophenyl)-cyclobutylmethanamine;hydrochloride
CID 171204069
(S)-(4-bromo-2-chlorophenyl)-cyclohexylmethanamine
CID 171223645
(5-bromothiophen-3-yl)-(2-phenylcyclopropyl)methanamine
CID 105189029
[(3-bromo-2-chlorophenyl)-(2-phenylcyclopropyl)methyl]hydrazine
CID 105341539
(2-phenylcyclopropyl)-(2-propan-2-yloxyphenyl)methanamine
CID 105018334

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-chlorophenyl)-(2-phenylcyclopropyl)methanamine?
The IUPAC name of (4-bromo-2-chlorophenyl)-(2-phenylcyclopropyl)methanamine (CID 105052562) is (4-bromo-2-chlorophenyl)-(2-phenylcyclopropyl)methanamine.
What is the SMILES notation for (4-bromo-2-chlorophenyl)-(2-phenylcyclopropyl)methanamine?
The canonical SMILES for (4-bromo-2-chlorophenyl)-(2-phenylcyclopropyl)methanamine is NC(c1ccc(Br)cc1Cl)C1CC1c1ccccc1.
What is the InChIKey of (4-bromo-2-chlorophenyl)-(2-phenylcyclopropyl)methanamine?
The InChIKey is RIFAIOJURHFVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClN/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 (4-bromo-2-chlorophenyl)-(2-phenylcyclopropyl)methanamine?
(4-bromo-2-chlorophenyl)-(2-phenylcyclopropyl)methanamine has a molecular weight of 336.66 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-chlorophenyl)-(2-phenylcyclopropyl)methanamine is sourced from PubChem (CID 105052562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).